data_25359 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25359 _Entry.Title ; BamA barrel in nanodiscs ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-20 _Entry.Accession_date 2014-11-20 _Entry.Last_release_date 2015-08-19 _Entry.Original_release_date 2015-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Leonor Morgado . . . 25359 2 Sebastian Hiller . . . 25359 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25359 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 41 25359 '15N chemical shifts' 20 25359 '1H chemical shifts' 20 25359 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2015-08-19 2014-11-20 update BMRB 'update entry citation' 25359 1 . . 2015-02-06 2014-11-20 original author 'original release' 25359 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25359 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25638436 _Citation.Full_citation . _Citation.Title ; Characterization of the insertase BamA in three different membrane mimetics by solution NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 61 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 333 _Citation.Page_last 345 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Leonor Morgado . . . 25359 1 2 Kornelius Zeth . . . 25359 1 3 Bjoern Burmann . M. . 25359 1 4 Timm Maier . . . 25359 1 5 Sebastian Hiller . . . 25359 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25359 _Assembly.ID 1 _Assembly.Name BamA _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'BamA transmembrane domain' 1 $BamA A . yes native no no . . . 25359 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 4C4V . . X-ray . . . 25359 1 yes PDB 4N75 . . X-ray . . . 25359 1 yes UNP P0A940 . . na . . . 25359 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BamA _Entity.Sf_category entity _Entity.Sf_framecode BamA _Entity.Entry_ID 25359 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BamA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGENLYFQH MRNTGSFNFGIGYGTESGVS FQAGVQQDNWLGTGYAVGIN GTKNDYQTYAELSVTNPYFT VDGVSLGGRLFYNDFQADDA DLSDYTNKSYGTDVTLGFPI NEYNSLRAGLGYVHNSLSNM QPQVAMWRYLYSMGEHPSTS DQDNSFKTDDFTFNYGWTYN KLDRGYFPTDGSRVNLTGKV TIPGSDNEYYKVTLDTATYV PIDDDHKWVVLGRTRWGYGD GLGGKEMPFYENFYAGGSST VRGFQSNTIGPKAVYFPHQA SNYDPDYDYESATQDGAKDL SKSDDAVGGNAMAVASLEFI TPTPFISDKYANSVRTSFFW DMGTVWDTNWDSSQYSGYPD YSDPSNIRMSAGIALQWMSP LGPLVFSYAQPFKKYDGDKA EQFQFNIGKTW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 411 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 4C4V . "Structure Of The Outer Membrane Protein Insertase Bama With One Potra Domain" . . . . . 96.35 464 97.47 97.98 0.00e+00 . . . . 25359 1 2 no PDB 4N75 . "Structural Basis Of Bama-mediate Outer Membrane Protein Biogenesis" . . . . . 93.67 385 99.22 99.22 0.00e+00 . . . . 25359 1 3 no DBJ BAA77852 . "conserved hypothetical protein [Escherichia coli str. K12 substr. W3110]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 4 no DBJ BAB33602 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 5 no DBJ BAG75700 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 6 no DBJ BAI23538 . "Omp85 family protein [Escherichia coli O26:H11 str. 11368]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 7 no DBJ BAI29053 . "Omp85 family protein [Escherichia coli O103:H2 str. 12009]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 8 no EMBL CAP74746 . "Outer membrane protein assembly factor yaet [Escherichia coli LF82]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 9 no EMBL CAQ30691 . "BamA, subunit of Outer Membrane Protein Assembly Complex [Escherichia coli BL21(DE3)]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 10 no EMBL CAQ97064 . "outer membrane protein assembly factor [Escherichia coli IAI1]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 11 no EMBL CAR01552 . "outer membrane protein assembly factor [Escherichia coli S88]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 12 no EMBL CAR06402 . "outer membrane protein assembly factor [Escherichia coli ED1a]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 13 no GB AAB08606 . "hypothetical protein [Escherichia coli]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 14 no GB AAC73288 . "BamABCDE complex OM biogenesis outer membrane pore-forming assembly factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 15 no GB AAD23568 . "outer membrane antigen Oma90 [Shigella flexneri]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 16 no GB AAG54479 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 17 no GB AAK64508 . "putative outer membrane protein Vpr [Escherichia coli]" . . . . . 96.35 810 97.73 97.98 0.00e+00 . . . . 25359 1 18 no REF NP_308206 . "outer membrane protein assembly factor YaeT [Escherichia coli O157:H7 str. Sakai]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 19 no REF NP_414719 . "BamABCDE complex OM biogenesis outer membrane pore-forming assembly factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 20 no REF NP_706122 . "outer membrane protein assembly factor YaeT [Shigella flexneri 2a str. 301]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 21 no REF WP_001240878 . "outer membrane protein assembly factor BamA [Escherichia coli]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 22 no REF WP_001240879 . "outer membrane protein assembly factor BamA [Shigella dysenteriae]" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 23 no SP A1A7M1 . "RecName: Full=Outer membrane protein assembly factor BamA; Flags: Precursor" . . . . . 96.35 810 97.98 98.23 0.00e+00 . . . . 25359 1 24 no SP A7ZHR7 . "RecName: Full=Outer membrane protein assembly factor BamA; Flags: Precursor" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 25 no SP A7ZWC3 . "RecName: Full=Outer membrane protein assembly factor BamA; Flags: Precursor" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 26 no SP B1IQG4 . "RecName: Full=Outer membrane protein assembly factor BamA; Flags: Precursor" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 27 no SP B1XD46 . "RecName: Full=Outer membrane protein assembly factor BamA; Flags: Precursor" . . . . . 96.35 810 98.23 98.48 0.00e+00 . . . . 25359 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 400 MET . 25359 1 2 401 GLY . 25359 1 3 402 SER . 25359 1 4 403 SER . 25359 1 5 404 HIS . 25359 1 6 405 HIS . 25359 1 7 406 HIS . 25359 1 8 407 HIS . 25359 1 9 408 HIS . 25359 1 10 409 HIS . 25359 1 11 410 SER . 25359 1 12 411 SER . 25359 1 13 412 GLY . 25359 1 14 413 GLU . 25359 1 15 414 ASN . 25359 1 16 415 LEU . 25359 1 17 416 TYR . 25359 1 18 417 PHE . 25359 1 19 418 GLN . 25359 1 20 419 HIS . 25359 1 21 420 MET . 25359 1 22 421 ARG . 25359 1 23 422 ASN . 25359 1 24 423 THR . 25359 1 25 424 GLY . 25359 1 26 425 SER . 25359 1 27 426 PHE . 25359 1 28 427 ASN . 25359 1 29 428 PHE . 25359 1 30 429 GLY . 25359 1 31 430 ILE . 25359 1 32 431 GLY . 25359 1 33 432 TYR . 25359 1 34 433 GLY . 25359 1 35 434 THR . 25359 1 36 435 GLU . 25359 1 37 436 SER . 25359 1 38 437 GLY . 25359 1 39 438 VAL . 25359 1 40 439 SER . 25359 1 41 440 PHE . 25359 1 42 441 GLN . 25359 1 43 442 ALA . 25359 1 44 443 GLY . 25359 1 45 444 VAL . 25359 1 46 445 GLN . 25359 1 47 446 GLN . 25359 1 48 447 ASP . 25359 1 49 448 ASN . 25359 1 50 449 TRP . 25359 1 51 450 LEU . 25359 1 52 451 GLY . 25359 1 53 452 THR . 25359 1 54 453 GLY . 25359 1 55 454 TYR . 25359 1 56 455 ALA . 25359 1 57 456 VAL . 25359 1 58 457 GLY . 25359 1 59 458 ILE . 25359 1 60 459 ASN . 25359 1 61 460 GLY . 25359 1 62 461 THR . 25359 1 63 462 LYS . 25359 1 64 463 ASN . 25359 1 65 464 ASP . 25359 1 66 465 TYR . 25359 1 67 466 GLN . 25359 1 68 467 THR . 25359 1 69 468 TYR . 25359 1 70 469 ALA . 25359 1 71 470 GLU . 25359 1 72 471 LEU . 25359 1 73 472 SER . 25359 1 74 473 VAL . 25359 1 75 474 THR . 25359 1 76 475 ASN . 25359 1 77 476 PRO . 25359 1 78 477 TYR . 25359 1 79 478 PHE . 25359 1 80 479 THR . 25359 1 81 480 VAL . 25359 1 82 481 ASP . 25359 1 83 482 GLY . 25359 1 84 483 VAL . 25359 1 85 484 SER . 25359 1 86 485 LEU . 25359 1 87 486 GLY . 25359 1 88 487 GLY . 25359 1 89 488 ARG . 25359 1 90 489 LEU . 25359 1 91 490 PHE . 25359 1 92 491 TYR . 25359 1 93 492 ASN . 25359 1 94 493 ASP . 25359 1 95 494 PHE . 25359 1 96 495 GLN . 25359 1 97 496 ALA . 25359 1 98 497 ASP . 25359 1 99 498 ASP . 25359 1 100 499 ALA . 25359 1 101 500 ASP . 25359 1 102 501 LEU . 25359 1 103 502 SER . 25359 1 104 503 ASP . 25359 1 105 504 TYR . 25359 1 106 505 THR . 25359 1 107 506 ASN . 25359 1 108 507 LYS . 25359 1 109 508 SER . 25359 1 110 509 TYR . 25359 1 111 510 GLY . 25359 1 112 511 THR . 25359 1 113 512 ASP . 25359 1 114 513 VAL . 25359 1 115 514 THR . 25359 1 116 515 LEU . 25359 1 117 516 GLY . 25359 1 118 517 PHE . 25359 1 119 518 PRO . 25359 1 120 519 ILE . 25359 1 121 520 ASN . 25359 1 122 521 GLU . 25359 1 123 522 TYR . 25359 1 124 523 ASN . 25359 1 125 524 SER . 25359 1 126 525 LEU . 25359 1 127 526 ARG . 25359 1 128 527 ALA . 25359 1 129 528 GLY . 25359 1 130 529 LEU . 25359 1 131 530 GLY . 25359 1 132 531 TYR . 25359 1 133 532 VAL . 25359 1 134 533 HIS . 25359 1 135 534 ASN . 25359 1 136 535 SER . 25359 1 137 536 LEU . 25359 1 138 537 SER . 25359 1 139 538 ASN . 25359 1 140 539 MET . 25359 1 141 540 GLN . 25359 1 142 541 PRO . 25359 1 143 542 GLN . 25359 1 144 543 VAL . 25359 1 145 544 ALA . 25359 1 146 545 MET . 25359 1 147 546 TRP . 25359 1 148 547 ARG . 25359 1 149 548 TYR . 25359 1 150 549 LEU . 25359 1 151 550 TYR . 25359 1 152 551 SER . 25359 1 153 552 MET . 25359 1 154 553 GLY . 25359 1 155 554 GLU . 25359 1 156 555 HIS . 25359 1 157 556 PRO . 25359 1 158 557 SER . 25359 1 159 558 THR . 25359 1 160 559 SER . 25359 1 161 560 ASP . 25359 1 162 561 GLN . 25359 1 163 562 ASP . 25359 1 164 563 ASN . 25359 1 165 564 SER . 25359 1 166 565 PHE . 25359 1 167 566 LYS . 25359 1 168 567 THR . 25359 1 169 568 ASP . 25359 1 170 569 ASP . 25359 1 171 570 PHE . 25359 1 172 571 THR . 25359 1 173 572 PHE . 25359 1 174 573 ASN . 25359 1 175 574 TYR . 25359 1 176 575 GLY . 25359 1 177 576 TRP . 25359 1 178 577 THR . 25359 1 179 578 TYR . 25359 1 180 579 ASN . 25359 1 181 580 LYS . 25359 1 182 581 LEU . 25359 1 183 582 ASP . 25359 1 184 583 ARG . 25359 1 185 584 GLY . 25359 1 186 585 TYR . 25359 1 187 586 PHE . 25359 1 188 587 PRO . 25359 1 189 588 THR . 25359 1 190 589 ASP . 25359 1 191 590 GLY . 25359 1 192 591 SER . 25359 1 193 592 ARG . 25359 1 194 593 VAL . 25359 1 195 594 ASN . 25359 1 196 595 LEU . 25359 1 197 596 THR . 25359 1 198 597 GLY . 25359 1 199 598 LYS . 25359 1 200 599 VAL . 25359 1 201 600 THR . 25359 1 202 601 ILE . 25359 1 203 602 PRO . 25359 1 204 603 GLY . 25359 1 205 604 SER . 25359 1 206 605 ASP . 25359 1 207 606 ASN . 25359 1 208 607 GLU . 25359 1 209 608 TYR . 25359 1 210 609 TYR . 25359 1 211 610 LYS . 25359 1 212 611 VAL . 25359 1 213 612 THR . 25359 1 214 613 LEU . 25359 1 215 614 ASP . 25359 1 216 615 THR . 25359 1 217 616 ALA . 25359 1 218 617 THR . 25359 1 219 618 TYR . 25359 1 220 619 VAL . 25359 1 221 620 PRO . 25359 1 222 621 ILE . 25359 1 223 622 ASP . 25359 1 224 623 ASP . 25359 1 225 624 ASP . 25359 1 226 625 HIS . 25359 1 227 626 LYS . 25359 1 228 627 TRP . 25359 1 229 628 VAL . 25359 1 230 629 VAL . 25359 1 231 630 LEU . 25359 1 232 631 GLY . 25359 1 233 632 ARG . 25359 1 234 633 THR . 25359 1 235 634 ARG . 25359 1 236 635 TRP . 25359 1 237 636 GLY . 25359 1 238 637 TYR . 25359 1 239 638 GLY . 25359 1 240 639 ASP . 25359 1 241 640 GLY . 25359 1 242 641 LEU . 25359 1 243 642 GLY . 25359 1 244 643 GLY . 25359 1 245 644 LYS . 25359 1 246 645 GLU . 25359 1 247 646 MET . 25359 1 248 647 PRO . 25359 1 249 648 PHE . 25359 1 250 649 TYR . 25359 1 251 650 GLU . 25359 1 252 651 ASN . 25359 1 253 652 PHE . 25359 1 254 653 TYR . 25359 1 255 654 ALA . 25359 1 256 655 GLY . 25359 1 257 656 GLY . 25359 1 258 657 SER . 25359 1 259 658 SER . 25359 1 260 659 THR . 25359 1 261 660 VAL . 25359 1 262 661 ARG . 25359 1 263 662 GLY . 25359 1 264 663 PHE . 25359 1 265 664 GLN . 25359 1 266 665 SER . 25359 1 267 666 ASN . 25359 1 268 667 THR . 25359 1 269 668 ILE . 25359 1 270 669 GLY . 25359 1 271 670 PRO . 25359 1 272 671 LYS . 25359 1 273 672 ALA . 25359 1 274 673 VAL . 25359 1 275 674 TYR . 25359 1 276 675 PHE . 25359 1 277 676 PRO . 25359 1 278 677 HIS . 25359 1 279 678 GLN . 25359 1 280 679 ALA . 25359 1 281 680 SER . 25359 1 282 681 ASN . 25359 1 283 682 TYR . 25359 1 284 683 ASP . 25359 1 285 684 PRO . 25359 1 286 685 ASP . 25359 1 287 686 TYR . 25359 1 288 687 ASP . 25359 1 289 688 TYR . 25359 1 290 689 GLU . 25359 1 291 690 SER . 25359 1 292 691 ALA . 25359 1 293 692 THR . 25359 1 294 693 GLN . 25359 1 295 694 ASP . 25359 1 296 695 GLY . 25359 1 297 696 ALA . 25359 1 298 697 LYS . 25359 1 299 698 ASP . 25359 1 300 699 LEU . 25359 1 301 700 SER . 25359 1 302 701 LYS . 25359 1 303 702 SER . 25359 1 304 703 ASP . 25359 1 305 704 ASP . 25359 1 306 705 ALA . 25359 1 307 706 VAL . 25359 1 308 707 GLY . 25359 1 309 708 GLY . 25359 1 310 709 ASN . 25359 1 311 710 ALA . 25359 1 312 711 MET . 25359 1 313 712 ALA . 25359 1 314 713 VAL . 25359 1 315 714 ALA . 25359 1 316 715 SER . 25359 1 317 716 LEU . 25359 1 318 717 GLU . 25359 1 319 718 PHE . 25359 1 320 719 ILE . 25359 1 321 720 THR . 25359 1 322 721 PRO . 25359 1 323 722 THR . 25359 1 324 723 PRO . 25359 1 325 724 PHE . 25359 1 326 725 ILE . 25359 1 327 726 SER . 25359 1 328 727 ASP . 25359 1 329 728 LYS . 25359 1 330 729 TYR . 25359 1 331 730 ALA . 25359 1 332 731 ASN . 25359 1 333 732 SER . 25359 1 334 733 VAL . 25359 1 335 734 ARG . 25359 1 336 735 THR . 25359 1 337 736 SER . 25359 1 338 737 PHE . 25359 1 339 738 PHE . 25359 1 340 739 TRP . 25359 1 341 740 ASP . 25359 1 342 741 MET . 25359 1 343 742 GLY . 25359 1 344 743 THR . 25359 1 345 744 VAL . 25359 1 346 745 TRP . 25359 1 347 746 ASP . 25359 1 348 747 THR . 25359 1 349 748 ASN . 25359 1 350 749 TRP . 25359 1 351 750 ASP . 25359 1 352 751 SER . 25359 1 353 752 SER . 25359 1 354 753 GLN . 25359 1 355 754 TYR . 25359 1 356 755 SER . 25359 1 357 756 GLY . 25359 1 358 757 TYR . 25359 1 359 758 PRO . 25359 1 360 759 ASP . 25359 1 361 760 TYR . 25359 1 362 761 SER . 25359 1 363 762 ASP . 25359 1 364 763 PRO . 25359 1 365 764 SER . 25359 1 366 765 ASN . 25359 1 367 766 ILE . 25359 1 368 767 ARG . 25359 1 369 768 MET . 25359 1 370 769 SER . 25359 1 371 770 ALA . 25359 1 372 771 GLY . 25359 1 373 772 ILE . 25359 1 374 773 ALA . 25359 1 375 774 LEU . 25359 1 376 775 GLN . 25359 1 377 776 TRP . 25359 1 378 777 MET . 25359 1 379 778 SER . 25359 1 380 779 PRO . 25359 1 381 780 LEU . 25359 1 382 781 GLY . 25359 1 383 782 PRO . 25359 1 384 783 LEU . 25359 1 385 784 VAL . 25359 1 386 785 PHE . 25359 1 387 786 SER . 25359 1 388 787 TYR . 25359 1 389 788 ALA . 25359 1 390 789 GLN . 25359 1 391 790 PRO . 25359 1 392 791 PHE . 25359 1 393 792 LYS . 25359 1 394 793 LYS . 25359 1 395 794 TYR . 25359 1 396 795 ASP . 25359 1 397 796 GLY . 25359 1 398 797 ASP . 25359 1 399 798 LYS . 25359 1 400 799 ALA . 25359 1 401 800 GLU . 25359 1 402 801 GLN . 25359 1 403 802 PHE . 25359 1 404 803 GLN . 25359 1 405 804 PHE . 25359 1 406 805 ASN . 25359 1 407 806 ILE . 25359 1 408 807 GLY . 25359 1 409 808 LYS . 25359 1 410 809 THR . 25359 1 411 810 TRP . 25359 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25359 1 . GLY 2 2 25359 1 . SER 3 3 25359 1 . SER 4 4 25359 1 . HIS 5 5 25359 1 . HIS 6 6 25359 1 . HIS 7 7 25359 1 . HIS 8 8 25359 1 . HIS 9 9 25359 1 . HIS 10 10 25359 1 . SER 11 11 25359 1 . SER 12 12 25359 1 . GLY 13 13 25359 1 . GLU 14 14 25359 1 . ASN 15 15 25359 1 . LEU 16 16 25359 1 . TYR 17 17 25359 1 . PHE 18 18 25359 1 . GLN 19 19 25359 1 . HIS 20 20 25359 1 . MET 21 21 25359 1 . ARG 22 22 25359 1 . ASN 23 23 25359 1 . THR 24 24 25359 1 . GLY 25 25 25359 1 . SER 26 26 25359 1 . PHE 27 27 25359 1 . ASN 28 28 25359 1 . PHE 29 29 25359 1 . GLY 30 30 25359 1 . ILE 31 31 25359 1 . GLY 32 32 25359 1 . TYR 33 33 25359 1 . GLY 34 34 25359 1 . THR 35 35 25359 1 . GLU 36 36 25359 1 . SER 37 37 25359 1 . GLY 38 38 25359 1 . VAL 39 39 25359 1 . SER 40 40 25359 1 . PHE 41 41 25359 1 . GLN 42 42 25359 1 . ALA 43 43 25359 1 . GLY 44 44 25359 1 . VAL 45 45 25359 1 . GLN 46 46 25359 1 . GLN 47 47 25359 1 . ASP 48 48 25359 1 . ASN 49 49 25359 1 . TRP 50 50 25359 1 . LEU 51 51 25359 1 . GLY 52 52 25359 1 . THR 53 53 25359 1 . GLY 54 54 25359 1 . TYR 55 55 25359 1 . ALA 56 56 25359 1 . VAL 57 57 25359 1 . GLY 58 58 25359 1 . ILE 59 59 25359 1 . ASN 60 60 25359 1 . GLY 61 61 25359 1 . THR 62 62 25359 1 . LYS 63 63 25359 1 . ASN 64 64 25359 1 . ASP 65 65 25359 1 . TYR 66 66 25359 1 . GLN 67 67 25359 1 . THR 68 68 25359 1 . TYR 69 69 25359 1 . ALA 70 70 25359 1 . GLU 71 71 25359 1 . LEU 72 72 25359 1 . SER 73 73 25359 1 . VAL 74 74 25359 1 . THR 75 75 25359 1 . ASN 76 76 25359 1 . PRO 77 77 25359 1 . TYR 78 78 25359 1 . PHE 79 79 25359 1 . THR 80 80 25359 1 . VAL 81 81 25359 1 . ASP 82 82 25359 1 . GLY 83 83 25359 1 . VAL 84 84 25359 1 . SER 85 85 25359 1 . LEU 86 86 25359 1 . GLY 87 87 25359 1 . GLY 88 88 25359 1 . ARG 89 89 25359 1 . LEU 90 90 25359 1 . PHE 91 91 25359 1 . TYR 92 92 25359 1 . ASN 93 93 25359 1 . ASP 94 94 25359 1 . PHE 95 95 25359 1 . GLN 96 96 25359 1 . ALA 97 97 25359 1 . ASP 98 98 25359 1 . ASP 99 99 25359 1 . ALA 100 100 25359 1 . ASP 101 101 25359 1 . LEU 102 102 25359 1 . SER 103 103 25359 1 . ASP 104 104 25359 1 . TYR 105 105 25359 1 . THR 106 106 25359 1 . ASN 107 107 25359 1 . LYS 108 108 25359 1 . SER 109 109 25359 1 . TYR 110 110 25359 1 . GLY 111 111 25359 1 . THR 112 112 25359 1 . ASP 113 113 25359 1 . VAL 114 114 25359 1 . THR 115 115 25359 1 . LEU 116 116 25359 1 . GLY 117 117 25359 1 . PHE 118 118 25359 1 . PRO 119 119 25359 1 . ILE 120 120 25359 1 . ASN 121 121 25359 1 . GLU 122 122 25359 1 . TYR 123 123 25359 1 . ASN 124 124 25359 1 . SER 125 125 25359 1 . LEU 126 126 25359 1 . ARG 127 127 25359 1 . ALA 128 128 25359 1 . GLY 129 129 25359 1 . LEU 130 130 25359 1 . GLY 131 131 25359 1 . TYR 132 132 25359 1 . VAL 133 133 25359 1 . HIS 134 134 25359 1 . ASN 135 135 25359 1 . SER 136 136 25359 1 . LEU 137 137 25359 1 . SER 138 138 25359 1 . ASN 139 139 25359 1 . MET 140 140 25359 1 . GLN 141 141 25359 1 . PRO 142 142 25359 1 . GLN 143 143 25359 1 . VAL 144 144 25359 1 . ALA 145 145 25359 1 . MET 146 146 25359 1 . TRP 147 147 25359 1 . ARG 148 148 25359 1 . TYR 149 149 25359 1 . LEU 150 150 25359 1 . TYR 151 151 25359 1 . SER 152 152 25359 1 . MET 153 153 25359 1 . GLY 154 154 25359 1 . GLU 155 155 25359 1 . HIS 156 156 25359 1 . PRO 157 157 25359 1 . SER 158 158 25359 1 . THR 159 159 25359 1 . SER 160 160 25359 1 . ASP 161 161 25359 1 . GLN 162 162 25359 1 . ASP 163 163 25359 1 . ASN 164 164 25359 1 . SER 165 165 25359 1 . PHE 166 166 25359 1 . LYS 167 167 25359 1 . THR 168 168 25359 1 . ASP 169 169 25359 1 . ASP 170 170 25359 1 . PHE 171 171 25359 1 . THR 172 172 25359 1 . PHE 173 173 25359 1 . ASN 174 174 25359 1 . TYR 175 175 25359 1 . GLY 176 176 25359 1 . TRP 177 177 25359 1 . THR 178 178 25359 1 . TYR 179 179 25359 1 . ASN 180 180 25359 1 . LYS 181 181 25359 1 . LEU 182 182 25359 1 . ASP 183 183 25359 1 . ARG 184 184 25359 1 . GLY 185 185 25359 1 . TYR 186 186 25359 1 . PHE 187 187 25359 1 . PRO 188 188 25359 1 . THR 189 189 25359 1 . ASP 190 190 25359 1 . GLY 191 191 25359 1 . SER 192 192 25359 1 . ARG 193 193 25359 1 . VAL 194 194 25359 1 . ASN 195 195 25359 1 . LEU 196 196 25359 1 . THR 197 197 25359 1 . GLY 198 198 25359 1 . LYS 199 199 25359 1 . VAL 200 200 25359 1 . THR 201 201 25359 1 . ILE 202 202 25359 1 . PRO 203 203 25359 1 . GLY 204 204 25359 1 . SER 205 205 25359 1 . ASP 206 206 25359 1 . ASN 207 207 25359 1 . GLU 208 208 25359 1 . TYR 209 209 25359 1 . TYR 210 210 25359 1 . LYS 211 211 25359 1 . VAL 212 212 25359 1 . THR 213 213 25359 1 . LEU 214 214 25359 1 . ASP 215 215 25359 1 . THR 216 216 25359 1 . ALA 217 217 25359 1 . THR 218 218 25359 1 . TYR 219 219 25359 1 . VAL 220 220 25359 1 . PRO 221 221 25359 1 . ILE 222 222 25359 1 . ASP 223 223 25359 1 . ASP 224 224 25359 1 . ASP 225 225 25359 1 . HIS 226 226 25359 1 . LYS 227 227 25359 1 . TRP 228 228 25359 1 . VAL 229 229 25359 1 . VAL 230 230 25359 1 . LEU 231 231 25359 1 . GLY 232 232 25359 1 . ARG 233 233 25359 1 . THR 234 234 25359 1 . ARG 235 235 25359 1 . TRP 236 236 25359 1 . GLY 237 237 25359 1 . TYR 238 238 25359 1 . GLY 239 239 25359 1 . ASP 240 240 25359 1 . GLY 241 241 25359 1 . LEU 242 242 25359 1 . GLY 243 243 25359 1 . GLY 244 244 25359 1 . LYS 245 245 25359 1 . GLU 246 246 25359 1 . MET 247 247 25359 1 . PRO 248 248 25359 1 . PHE 249 249 25359 1 . TYR 250 250 25359 1 . GLU 251 251 25359 1 . ASN 252 252 25359 1 . PHE 253 253 25359 1 . TYR 254 254 25359 1 . ALA 255 255 25359 1 . GLY 256 256 25359 1 . GLY 257 257 25359 1 . SER 258 258 25359 1 . SER 259 259 25359 1 . THR 260 260 25359 1 . VAL 261 261 25359 1 . ARG 262 262 25359 1 . GLY 263 263 25359 1 . PHE 264 264 25359 1 . GLN 265 265 25359 1 . SER 266 266 25359 1 . ASN 267 267 25359 1 . THR 268 268 25359 1 . ILE 269 269 25359 1 . GLY 270 270 25359 1 . PRO 271 271 25359 1 . LYS 272 272 25359 1 . ALA 273 273 25359 1 . VAL 274 274 25359 1 . TYR 275 275 25359 1 . PHE 276 276 25359 1 . PRO 277 277 25359 1 . HIS 278 278 25359 1 . GLN 279 279 25359 1 . ALA 280 280 25359 1 . SER 281 281 25359 1 . ASN 282 282 25359 1 . TYR 283 283 25359 1 . ASP 284 284 25359 1 . PRO 285 285 25359 1 . ASP 286 286 25359 1 . TYR 287 287 25359 1 . ASP 288 288 25359 1 . TYR 289 289 25359 1 . GLU 290 290 25359 1 . SER 291 291 25359 1 . ALA 292 292 25359 1 . THR 293 293 25359 1 . GLN 294 294 25359 1 . ASP 295 295 25359 1 . GLY 296 296 25359 1 . ALA 297 297 25359 1 . LYS 298 298 25359 1 . ASP 299 299 25359 1 . LEU 300 300 25359 1 . SER 301 301 25359 1 . LYS 302 302 25359 1 . SER 303 303 25359 1 . ASP 304 304 25359 1 . ASP 305 305 25359 1 . ALA 306 306 25359 1 . VAL 307 307 25359 1 . GLY 308 308 25359 1 . GLY 309 309 25359 1 . ASN 310 310 25359 1 . ALA 311 311 25359 1 . MET 312 312 25359 1 . ALA 313 313 25359 1 . VAL 314 314 25359 1 . ALA 315 315 25359 1 . SER 316 316 25359 1 . LEU 317 317 25359 1 . GLU 318 318 25359 1 . PHE 319 319 25359 1 . ILE 320 320 25359 1 . THR 321 321 25359 1 . PRO 322 322 25359 1 . THR 323 323 25359 1 . PRO 324 324 25359 1 . PHE 325 325 25359 1 . ILE 326 326 25359 1 . SER 327 327 25359 1 . ASP 328 328 25359 1 . LYS 329 329 25359 1 . TYR 330 330 25359 1 . ALA 331 331 25359 1 . ASN 332 332 25359 1 . SER 333 333 25359 1 . VAL 334 334 25359 1 . ARG 335 335 25359 1 . THR 336 336 25359 1 . SER 337 337 25359 1 . PHE 338 338 25359 1 . PHE 339 339 25359 1 . TRP 340 340 25359 1 . ASP 341 341 25359 1 . MET 342 342 25359 1 . GLY 343 343 25359 1 . THR 344 344 25359 1 . VAL 345 345 25359 1 . TRP 346 346 25359 1 . ASP 347 347 25359 1 . THR 348 348 25359 1 . ASN 349 349 25359 1 . TRP 350 350 25359 1 . ASP 351 351 25359 1 . SER 352 352 25359 1 . SER 353 353 25359 1 . GLN 354 354 25359 1 . TYR 355 355 25359 1 . SER 356 356 25359 1 . GLY 357 357 25359 1 . TYR 358 358 25359 1 . PRO 359 359 25359 1 . ASP 360 360 25359 1 . TYR 361 361 25359 1 . SER 362 362 25359 1 . ASP 363 363 25359 1 . PRO 364 364 25359 1 . SER 365 365 25359 1 . ASN 366 366 25359 1 . ILE 367 367 25359 1 . ARG 368 368 25359 1 . MET 369 369 25359 1 . SER 370 370 25359 1 . ALA 371 371 25359 1 . GLY 372 372 25359 1 . ILE 373 373 25359 1 . ALA 374 374 25359 1 . LEU 375 375 25359 1 . GLN 376 376 25359 1 . TRP 377 377 25359 1 . MET 378 378 25359 1 . SER 379 379 25359 1 . PRO 380 380 25359 1 . LEU 381 381 25359 1 . GLY 382 382 25359 1 . PRO 383 383 25359 1 . LEU 384 384 25359 1 . VAL 385 385 25359 1 . PHE 386 386 25359 1 . SER 387 387 25359 1 . TYR 388 388 25359 1 . ALA 389 389 25359 1 . GLN 390 390 25359 1 . PRO 391 391 25359 1 . PHE 392 392 25359 1 . LYS 393 393 25359 1 . LYS 394 394 25359 1 . TYR 395 395 25359 1 . ASP 396 396 25359 1 . GLY 397 397 25359 1 . ASP 398 398 25359 1 . LYS 399 399 25359 1 . ALA 400 400 25359 1 . GLU 401 401 25359 1 . GLN 402 402 25359 1 . PHE 403 403 25359 1 . GLN 404 404 25359 1 . PHE 405 405 25359 1 . ASN 406 406 25359 1 . ILE 407 407 25359 1 . GLY 408 408 25359 1 . LYS 409 409 25359 1 . THR 410 410 25359 1 . TRP 411 411 25359 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25359 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BamA . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25359 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25359 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BamA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 25359 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_BamA_nanodiscs _Sample.Sf_category sample _Sample.Sf_framecode BamA_nanodiscs _Sample.Entry_ID 25359 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BamA '[U-13C; U-15N; U-2H]' . . 1 $BamA . . 850 . . uM . . . . 25359 1 2 MES 'natural abundance' . . . . . . 25 . . mM . . . . 25359 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25359 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25359 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.17 . M 25359 1 pH 6.5 . pH 25359 1 pressure 1 . atm 25359 1 temperature 303 . K 25359 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25359 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25359 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25359 1 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 25359 _Software.ID 2 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 25359 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25359 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25359 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25359 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25359 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25359 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25359 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Ascend . 700 . . . 25359 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25359 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $BamA_nanodiscs isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25359 1 2 '3D HNCACB' no . . . . . . . . . . 1 $BamA_nanodiscs isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25359 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25359 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25359 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25359 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25359 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25359 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25359 1 2 '3D HNCACB' . . . 25359 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 279 279 GLN H H 1 8.21 0.02 . 1 . . . . 678 GLN H . 25359 1 2 . 1 1 279 279 GLN CA C 13 55.1 0.3 . 1 . . . . 678 GLN CA . 25359 1 3 . 1 1 279 279 GLN CB C 13 28.9 0.3 . 1 . . . . 678 GLN CB . 25359 1 4 . 1 1 279 279 GLN N N 15 122.1 0.3 . 1 . . . . 678 GLN N . 25359 1 5 . 1 1 280 280 ALA H H 1 8.34 0.02 . 1 . . . . 679 ALA H . 25359 1 6 . 1 1 280 280 ALA CA C 13 51.9 0.3 . 1 . . . . 679 ALA CA . 25359 1 7 . 1 1 280 280 ALA CB C 13 18.4 0.3 . 1 . . . . 679 ALA CB . 25359 1 8 . 1 1 280 280 ALA N N 15 126.3 0.3 . 1 . . . . 679 ALA N . 25359 1 9 . 1 1 281 281 SER H H 1 8.20 0.02 . 1 . . . . 680 SER H . 25359 1 10 . 1 1 281 281 SER CA C 13 58.0 0.3 . 1 . . . . 680 SER CA . 25359 1 11 . 1 1 281 281 SER CB C 13 63.1 0.3 . 1 . . . . 680 SER CB . 25359 1 12 . 1 1 281 281 SER N N 15 115.4 0.3 . 1 . . . . 680 SER N . 25359 1 13 . 1 1 282 282 ASN H H 1 8.15 0.02 . 1 . . . . 681 ASN H . 25359 1 14 . 1 1 282 282 ASN CA C 13 52.8 0.3 . 1 . . . . 681 ASN CA . 25359 1 15 . 1 1 282 282 ASN CB C 13 38.0 0.3 . 1 . . . . 681 ASN CB . 25359 1 16 . 1 1 282 282 ASN N N 15 120.1 0.3 . 1 . . . . 681 ASN N . 25359 1 17 . 1 1 283 283 TYR H H 1 7.89 0.02 . 1 . . . . 682 TYR H . 25359 1 18 . 1 1 283 283 TYR CA C 13 57.2 0.3 . 1 . . . . 682 TYR CA . 25359 1 19 . 1 1 283 283 TYR CB C 13 38.0 0.3 . 1 . . . . 682 TYR CB . 25359 1 20 . 1 1 283 283 TYR N N 15 120.9 0.3 . 1 . . . . 682 TYR N . 25359 1 21 . 1 1 284 284 ASP H H 1 8.00 0.02 . 1 . . . . 683 ASP H . 25359 1 22 . 1 1 284 284 ASP CA C 13 51.0 0.3 . 1 . . . . 683 ASP CA . 25359 1 23 . 1 1 284 284 ASP CB C 13 41.1 0.3 . 1 . . . . 683 ASP CB . 25359 1 24 . 1 1 284 284 ASP N N 15 125.3 0.3 . 1 . . . . 683 ASP N . 25359 1 25 . 1 1 285 285 PRO CA C 13 63.5 0.3 . 1 . . . . 684 PRO CA . 25359 1 26 . 1 1 285 285 PRO CB C 13 31.1 0.3 . 1 . . . . 684 PRO CB . 25359 1 27 . 1 1 286 286 ASP H H 1 8.18 0.02 . 1 . . . . 685 ASP H . 25359 1 28 . 1 1 286 286 ASP CA C 13 54.0 0.3 . 1 . . . . 685 ASP CA . 25359 1 29 . 1 1 286 286 ASP CB C 13 40.1 0.3 . 1 . . . . 685 ASP CB . 25359 1 30 . 1 1 286 286 ASP N N 15 118.5 0.3 . 1 . . . . 685 ASP N . 25359 1 31 . 1 1 287 287 TYR H H 1 7.55 0.02 . 1 . . . . 686 TYR H . 25359 1 32 . 1 1 287 287 TYR CA C 13 57.7 0.3 . 1 . . . . 686 TYR CA . 25359 1 33 . 1 1 287 287 TYR CB C 13 38.2 0.3 . 1 . . . . 686 TYR CB . 25359 1 34 . 1 1 287 287 TYR N N 15 121.1 0.3 . 1 . . . . 686 TYR N . 25359 1 35 . 1 1 288 288 ASP H H 1 7.83 0.02 . 1 . . . . 687 ASP H . 25359 1 36 . 1 1 288 288 ASP CA C 13 53.1 0.3 . 1 . . . . 687 ASP CA . 25359 1 37 . 1 1 288 288 ASP CB C 13 40.2 0.3 . 1 . . . . 687 ASP CB . 25359 1 38 . 1 1 288 288 ASP N N 15 123.7 0.3 . 1 . . . . 687 ASP N . 25359 1 39 . 1 1 289 289 TYR H H 1 7.87 0.02 . 1 . . . . 688 TYR H . 25359 1 40 . 1 1 289 289 TYR CA C 13 58.9 0.3 . 1 . . . . 688 TYR CA . 25359 1 41 . 1 1 289 289 TYR CB C 13 37.5 0.3 . 1 . . . . 688 TYR CB . 25359 1 42 . 1 1 289 289 TYR N N 15 122.3 0.3 . 1 . . . . 688 TYR N . 25359 1 43 . 1 1 290 290 GLU H H 1 8.14 0.02 . 1 . . . . 689 GLU H . 25359 1 44 . 1 1 290 290 GLU CA C 13 57.0 0.3 . 1 . . . . 689 GLU CA . 25359 1 45 . 1 1 290 290 GLU CB C 13 28.9 0.3 . 1 . . . . 689 GLU CB . 25359 1 46 . 1 1 290 290 GLU N N 15 121.0 0.3 . 1 . . . . 689 GLU N . 25359 1 47 . 1 1 291 291 SER H H 1 7.83 0.02 . 1 . . . . 690 SER H . 25359 1 48 . 1 1 291 291 SER CA C 13 58.4 0.3 . 1 . . . . 690 SER CA . 25359 1 49 . 1 1 291 291 SER CB C 13 62.9 0.3 . 1 . . . . 690 SER CB . 25359 1 50 . 1 1 291 291 SER N N 15 115.7 0.3 . 1 . . . . 690 SER N . 25359 1 51 . 1 1 292 292 ALA H H 1 7.98 0.02 . 1 . . . . 691 ALA H . 25359 1 52 . 1 1 292 292 ALA CA C 13 52.4 0.3 . 1 . . . . 691 ALA CA . 25359 1 53 . 1 1 292 292 ALA CB C 13 18.2 0.3 . 1 . . . . 691 ALA CB . 25359 1 54 . 1 1 292 292 ALA N N 15 125.4 0.3 . 1 . . . . 691 ALA N . 25359 1 55 . 1 1 293 293 THR H H 1 7.84 0.02 . 1 . . . . 692 THR H . 25359 1 56 . 1 1 293 293 THR CA C 13 61.6 0.3 . 1 . . . . 692 THR CA . 25359 1 57 . 1 1 293 293 THR CB C 13 69.2 0.3 . 1 . . . . 692 THR CB . 25359 1 58 . 1 1 293 293 THR N N 15 112.1 0.3 . 1 . . . . 692 THR N . 25359 1 59 . 1 1 294 294 GLN H H 1 8.10 0.02 . 1 . . . . 693 GLN H . 25359 1 60 . 1 1 294 294 GLN CA C 13 55.6 0.3 . 1 . . . . 693 GLN CA . 25359 1 61 . 1 1 294 294 GLN CB C 13 28.2 0.3 . 1 . . . . 693 GLN CB . 25359 1 62 . 1 1 294 294 GLN N N 15 122.4 0.3 . 1 . . . . 693 GLN N . 25359 1 63 . 1 1 295 295 ASP H H 1 8.22 0.02 . 1 . . . . 694 ASP H . 25359 1 64 . 1 1 295 295 ASP CA C 13 54.2 0.3 . 1 . . . . 694 ASP CA . 25359 1 65 . 1 1 295 295 ASP CB C 13 40.3 0.3 . 1 . . . . 694 ASP CB . 25359 1 66 . 1 1 295 295 ASP N N 15 121.5 0.3 . 1 . . . . 694 ASP N . 25359 1 67 . 1 1 296 296 GLY H H 1 8.16 0.02 . 1 . . . . 695 GLY H . 25359 1 68 . 1 1 296 296 GLY CA C 13 45.0 0.3 . 1 . . . . 695 GLY CA . 25359 1 69 . 1 1 296 296 GLY N N 15 109.8 0.3 . 1 . . . . 695 GLY N . 25359 1 70 . 1 1 297 297 ALA H H 1 8.00 0.02 . 1 . . . . 696 ALA H . 25359 1 71 . 1 1 297 297 ALA CA C 13 52.1 0.3 . 1 . . . . 696 ALA CA . 25359 1 72 . 1 1 297 297 ALA CB C 13 18.2 0.3 . 1 . . . . 696 ALA CB . 25359 1 73 . 1 1 297 297 ALA N N 15 123.8 0.3 . 1 . . . . 696 ALA N . 25359 1 74 . 1 1 298 298 LYS H H 1 8.09 0.02 . 1 . . . . 697 LYS H . 25359 1 75 . 1 1 298 298 LYS CA C 13 55.5 0.3 . 1 . . . . 697 LYS CA . 25359 1 76 . 1 1 298 298 LYS CB C 13 32.2 0.3 . 1 . . . . 697 LYS CB . 25359 1 77 . 1 1 298 298 LYS N N 15 119.8 0.3 . 1 . . . . 697 LYS N . 25359 1 78 . 1 1 299 299 ASP H H 1 8.15 0.02 . 1 . . . . 698 ASP H . 25359 1 79 . 1 1 299 299 ASP CA C 13 53.7 0.3 . 1 . . . . 698 ASP CA . 25359 1 80 . 1 1 299 299 ASP CB C 13 40.4 0.3 . 1 . . . . 698 ASP CB . 25359 1 81 . 1 1 299 299 ASP N N 15 120.8 0.3 . 1 . . . . 698 ASP N . 25359 1 stop_ save_