data_17178 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR relaxation studies of GdDTPA in human serum albumin solution ; _BMRB_accession_number 17178 _BMRB_flat_file_name bmr17178.str _Entry_type original _Submission_date 2010-09-10 _Accession_date 2010-09-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Xinyu . . 2 Li Xiaojing . . 3 Zhang Shanrong . . 4 Pei Fengkui . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count binding_constants 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-06-06 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR relaxation studies of GdDTPA in human serum albumin solution' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Xinyu . . 2 Li Xiaojing . . 3 Zhang Shanrong . . 4 Pei Fengkui . . stop_ _Journal_abbreviation POLYHEDRON _Journal_volume 18 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 695 _Page_last 697 _Year 1999 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HSA/DTPA complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HSA $HSA DTPA $DTPA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HSA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HSA _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 609 _Mol_residue_sequence ; MKWVTFISLLFLFSSAYSRG VFRRDAHKSEVAHRFKDLGE ENFKALVLIAFAQYLQQCPF EDHVKLVNEVTEFAKTCVAD ESAENCDKSLHTLFGDKLCT VATLRETYGEMADCCAKQEP ERNECFLQHKDDNPNLPRLV RPEVDVMCTAFHDNEETFLK KYLYEIARRHPYFYAPELLF FAKRYKAAFTECCQAADKAA CLLPKLDELRDEGKASSAKQ RLKCASLQKFGERAFKAWAV ARLSQRFPKAEFAEVSKLVT DLTKVHTECCHGDLLECADD RADLAKYICENQDSISSKLK ECCEKPLLEKSHCIAEVEND EMPADLPSLAADFVESKDVC KNYAEAKDVFLGMFLYEYAR RHPDYSVVLLLRLAKTYETT LEKCCAAADPHECYAKVFDE FKPLVEEPQNLIKQNCELFE QLGEYKFQNALLVRYTKKVP QVSTPTLVEVSRNLGKVGSK CCKHPEAKRMPCAEDYLSVV LNQLCVLHEKTPVSDRVTKC CTESLVNRRPCFSALEVDET YVPKEFNAETFTFHADICTL SEKERQIKKQTALVELVKHK PKATKEQLKAVMDDFAAFVE KCCKADDKETCFAEEGKKLV AASQAALGL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 TRP 4 VAL 5 THR 6 PHE 7 ILE 8 SER 9 LEU 10 LEU 11 PHE 12 LEU 13 PHE 14 SER 15 SER 16 ALA 17 TYR 18 SER 19 ARG 20 GLY 21 VAL 22 PHE 23 ARG 24 ARG 25 ASP 26 ALA 27 HIS 28 LYS 29 SER 30 GLU 31 VAL 32 ALA 33 HIS 34 ARG 35 PHE 36 LYS 37 ASP 38 LEU 39 GLY 40 GLU 41 GLU 42 ASN 43 PHE 44 LYS 45 ALA 46 LEU 47 VAL 48 LEU 49 ILE 50 ALA 51 PHE 52 ALA 53 GLN 54 TYR 55 LEU 56 GLN 57 GLN 58 CYS 59 PRO 60 PHE 61 GLU 62 ASP 63 HIS 64 VAL 65 LYS 66 LEU 67 VAL 68 ASN 69 GLU 70 VAL 71 THR 72 GLU 73 PHE 74 ALA 75 LYS 76 THR 77 CYS 78 VAL 79 ALA 80 ASP 81 GLU 82 SER 83 ALA 84 GLU 85 ASN 86 CYS 87 ASP 88 LYS 89 SER 90 LEU 91 HIS 92 THR 93 LEU 94 PHE 95 GLY 96 ASP 97 LYS 98 LEU 99 CYS 100 THR 101 VAL 102 ALA 103 THR 104 LEU 105 ARG 106 GLU 107 THR 108 TYR 109 GLY 110 GLU 111 MET 112 ALA 113 ASP 114 CYS 115 CYS 116 ALA 117 LYS 118 GLN 119 GLU 120 PRO 121 GLU 122 ARG 123 ASN 124 GLU 125 CYS 126 PHE 127 LEU 128 GLN 129 HIS 130 LYS 131 ASP 132 ASP 133 ASN 134 PRO 135 ASN 136 LEU 137 PRO 138 ARG 139 LEU 140 VAL 141 ARG 142 PRO 143 GLU 144 VAL 145 ASP 146 VAL 147 MET 148 CYS 149 THR 150 ALA 151 PHE 152 HIS 153 ASP 154 ASN 155 GLU 156 GLU 157 THR 158 PHE 159 LEU 160 LYS 161 LYS 162 TYR 163 LEU 164 TYR 165 GLU 166 ILE 167 ALA 168 ARG 169 ARG 170 HIS 171 PRO 172 TYR 173 PHE 174 TYR 175 ALA 176 PRO 177 GLU 178 LEU 179 LEU 180 PHE 181 PHE 182 ALA 183 LYS 184 ARG 185 TYR 186 LYS 187 ALA 188 ALA 189 PHE 190 THR 191 GLU 192 CYS 193 CYS 194 GLN 195 ALA 196 ALA 197 ASP 198 LYS 199 ALA 200 ALA 201 CYS 202 LEU 203 LEU 204 PRO 205 LYS 206 LEU 207 ASP 208 GLU 209 LEU 210 ARG 211 ASP 212 GLU 213 GLY 214 LYS 215 ALA 216 SER 217 SER 218 ALA 219 LYS 220 GLN 221 ARG 222 LEU 223 LYS 224 CYS 225 ALA 226 SER 227 LEU 228 GLN 229 LYS 230 PHE 231 GLY 232 GLU 233 ARG 234 ALA 235 PHE 236 LYS 237 ALA 238 TRP 239 ALA 240 VAL 241 ALA 242 ARG 243 LEU 244 SER 245 GLN 246 ARG 247 PHE 248 PRO 249 LYS 250 ALA 251 GLU 252 PHE 253 ALA 254 GLU 255 VAL 256 SER 257 LYS 258 LEU 259 VAL 260 THR 261 ASP 262 LEU 263 THR 264 LYS 265 VAL 266 HIS 267 THR 268 GLU 269 CYS 270 CYS 271 HIS 272 GLY 273 ASP 274 LEU 275 LEU 276 GLU 277 CYS 278 ALA 279 ASP 280 ASP 281 ARG 282 ALA 283 ASP 284 LEU 285 ALA 286 LYS 287 TYR 288 ILE 289 CYS 290 GLU 291 ASN 292 GLN 293 ASP 294 SER 295 ILE 296 SER 297 SER 298 LYS 299 LEU 300 LYS 301 GLU 302 CYS 303 CYS 304 GLU 305 LYS 306 PRO 307 LEU 308 LEU 309 GLU 310 LYS 311 SER 312 HIS 313 CYS 314 ILE 315 ALA 316 GLU 317 VAL 318 GLU 319 ASN 320 ASP 321 GLU 322 MET 323 PRO 324 ALA 325 ASP 326 LEU 327 PRO 328 SER 329 LEU 330 ALA 331 ALA 332 ASP 333 PHE 334 VAL 335 GLU 336 SER 337 LYS 338 ASP 339 VAL 340 CYS 341 LYS 342 ASN 343 TYR 344 ALA 345 GLU 346 ALA 347 LYS 348 ASP 349 VAL 350 PHE 351 LEU 352 GLY 353 MET 354 PHE 355 LEU 356 TYR 357 GLU 358 TYR 359 ALA 360 ARG 361 ARG 362 HIS 363 PRO 364 ASP 365 TYR 366 SER 367 VAL 368 VAL 369 LEU 370 LEU 371 LEU 372 ARG 373 LEU 374 ALA 375 LYS 376 THR 377 TYR 378 GLU 379 THR 380 THR 381 LEU 382 GLU 383 LYS 384 CYS 385 CYS 386 ALA 387 ALA 388 ALA 389 ASP 390 PRO 391 HIS 392 GLU 393 CYS 394 TYR 395 ALA 396 LYS 397 VAL 398 PHE 399 ASP 400 GLU 401 PHE 402 LYS 403 PRO 404 LEU 405 VAL 406 GLU 407 GLU 408 PRO 409 GLN 410 ASN 411 LEU 412 ILE 413 LYS 414 GLN 415 ASN 416 CYS 417 GLU 418 LEU 419 PHE 420 GLU 421 GLN 422 LEU 423 GLY 424 GLU 425 TYR 426 LYS 427 PHE 428 GLN 429 ASN 430 ALA 431 LEU 432 LEU 433 VAL 434 ARG 435 TYR 436 THR 437 LYS 438 LYS 439 VAL 440 PRO 441 GLN 442 VAL 443 SER 444 THR 445 PRO 446 THR 447 LEU 448 VAL 449 GLU 450 VAL 451 SER 452 ARG 453 ASN 454 LEU 455 GLY 456 LYS 457 VAL 458 GLY 459 SER 460 LYS 461 CYS 462 CYS 463 LYS 464 HIS 465 PRO 466 GLU 467 ALA 468 LYS 469 ARG 470 MET 471 PRO 472 CYS 473 ALA 474 GLU 475 ASP 476 TYR 477 LEU 478 SER 479 VAL 480 VAL 481 LEU 482 ASN 483 GLN 484 LEU 485 CYS 486 VAL 487 LEU 488 HIS 489 GLU 490 LYS 491 THR 492 PRO 493 VAL 494 SER 495 ASP 496 ARG 497 VAL 498 THR 499 LYS 500 CYS 501 CYS 502 THR 503 GLU 504 SER 505 LEU 506 VAL 507 ASN 508 ARG 509 ARG 510 PRO 511 CYS 512 PHE 513 SER 514 ALA 515 LEU 516 GLU 517 VAL 518 ASP 519 GLU 520 THR 521 TYR 522 VAL 523 PRO 524 LYS 525 GLU 526 PHE 527 ASN 528 ALA 529 GLU 530 THR 531 PHE 532 THR 533 PHE 534 HIS 535 ALA 536 ASP 537 ILE 538 CYS 539 THR 540 LEU 541 SER 542 GLU 543 LYS 544 GLU 545 ARG 546 GLN 547 ILE 548 LYS 549 LYS 550 GLN 551 THR 552 ALA 553 LEU 554 VAL 555 GLU 556 LEU 557 VAL 558 LYS 559 HIS 560 LYS 561 PRO 562 LYS 563 ALA 564 THR 565 LYS 566 GLU 567 GLN 568 LEU 569 LYS 570 ALA 571 VAL 572 MET 573 ASP 574 ASP 575 PHE 576 ALA 577 ALA 578 PHE 579 VAL 580 GLU 581 LYS 582 CYS 583 CYS 584 LYS 585 ALA 586 ASP 587 ASP 588 LYS 589 GLU 590 THR 591 CYS 592 PHE 593 ALA 594 GLU 595 GLU 596 GLY 597 LYS 598 LYS 599 LEU 600 VAL 601 ALA 602 ALA 603 SER 604 GLN 605 ALA 606 ALA 607 LEU 608 GLY 609 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16751 HSA 96.06 585 99.83 99.83 0.00e+00 BMRB 17180 HSA 100.00 609 100.00 100.00 0.00e+00 PDB 1AO6 "Crystal Structure Of Human Serum Albumin" 96.06 585 100.00 100.00 0.00e+00 PDB 1BJ5 "Human Serum Albumin Complexed With Myristic Acid" 96.06 585 100.00 100.00 0.00e+00 PDB 1BKE "Human Serum Albumin In A Complex With Myristic Acid And Tri- Iodobenzoic Acid" 95.40 581 100.00 100.00 0.00e+00 PDB 1BM0 "Crystal Structure Of Human Serum Albumin" 96.06 585 100.00 100.00 0.00e+00 PDB 1E78 "Crystal Structure Of Human Serum Albumin" 96.06 585 100.00 100.00 0.00e+00 PDB 1E7A "Crystal Structure Of Human Serum Albumin Complexed With The General Anesthetic Propofol" 96.06 585 100.00 100.00 0.00e+00 PDB 1E7B "Crystal Structure Of Human Serum Albumin Complexed With The General Anesthetic Halothane" 96.06 585 100.00 100.00 0.00e+00 PDB 1E7C "Human Serum Albumin Complexed With Myristic Acid And The General Anesthetic Halothane" 96.06 585 100.00 100.00 0.00e+00 PDB 1E7E "Human Serum Albumin Complexed With Decanoic Acid (Capric Acid)" 96.06 585 100.00 100.00 0.00e+00 PDB 1E7F "Human Serum Albumin Complexed With Dodecanoic Acid (Lauric Acid)" 96.06 585 100.00 100.00 0.00e+00 PDB 1E7G "Human Serum Albumin Complexed With Tetradecanoic Acid (myristic Acid)" 96.06 585 100.00 100.00 0.00e+00 PDB 1E7H "Human Serum Albumin Complexed With Hexadecanoic Acid (Palmitic Acid)" 96.06 585 100.00 100.00 0.00e+00 PDB 1E7I "Human Serum Albumin Complexed With Octadecanoic Acid (Stearic Acid)" 96.06 585 100.00 100.00 0.00e+00 PDB 1GNI "Human Serum Albumin Complexed With Cis-9-Octadecenoic Acid (Oleic Acid)" 96.06 585 100.00 100.00 0.00e+00 PDB 1GNJ "Human Serum Albumin Complexed With Cis-5,8,11,14- Eicosatetraenoic Acid (Arachidonic Acid)" 96.06 585 100.00 100.00 0.00e+00 PDB 1H9Z "Human Serum Albumin Complexed With Myristic Acid And The R-(+) Enantiomer Of Warfarin" 96.06 585 100.00 100.00 0.00e+00 PDB 1HA2 "Human Serum Albumin Complexed With Myristic Acid And The S- (-) Enantiomer Of Warfarin" 96.06 585 100.00 100.00 0.00e+00 PDB 1HK1 "Human Serum Albumin Complexed With Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine)" 96.06 585 100.00 100.00 0.00e+00 PDB 1HK2 "Human Serum Albumin Mutant R218h Complexed With Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine)" 96.06 585 99.83 99.83 0.00e+00 PDB 1HK3 "Human Serum Albumin Mutant R218p Complexed With Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine)" 96.06 585 99.83 99.83 0.00e+00 PDB 1HK4 "Human Serum Albumin Complexed With Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine) And Myristic Acid (Tetradecanoic Acid)" 96.06 585 100.00 100.00 0.00e+00 PDB 1HK5 "Human Serum Albumin Mutant R218h Complexed With Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) And Myristic Acid (Tetradecanoic Ac" 96.06 585 99.83 99.83 0.00e+00 PDB 1N5U "X-Ray Study Of Human Serum Albumin Complexed With Heme" 96.06 585 100.00 100.00 0.00e+00 PDB 1O9X "Human Serum Albumin Complexed With Tetradecanoic Acid (Myristic Acid) And Hemin" 96.06 585 100.00 100.00 0.00e+00 PDB 1TF0 "Crystal Structure Of The Ga Module Complexed With Human Serum Albumin" 93.92 572 100.00 100.00 0.00e+00 PDB 1UOR "X-Ray Study Of Recombinant Human Serum Albumin. Phases Determined By Molecular Replacement Method, Using Low Resolution Structu" 96.06 585 100.00 100.00 0.00e+00 PDB 2BX8 "Human Serum Albumin Complexed With Azapropazone" 96.06 585 100.00 100.00 0.00e+00 PDB 2BXA "Human Serum Albumin Complexed With 3-Carboxy-4-Methyl-5- Propyl-2-Furanpropanoic Acid (Cmpf)" 96.06 585 100.00 100.00 0.00e+00 PDB 2BXB "Human Serum Albumin Complexed With Oxyphenbutazone" 96.06 585 100.00 100.00 0.00e+00 PDB 2BXC "Human Serum Albumin Complexed With Phenylbutazone" 96.06 585 100.00 100.00 0.00e+00 PDB 2BXD "Human Serum Albumin Complexed With Warfarin" 96.06 585 100.00 100.00 0.00e+00 PDB 2BXE "Human Serum Albumin Complexed With Diflunisal" 96.06 585 100.00 100.00 0.00e+00 PDB 2BXF "Human Serum Albumin Complexed With Diazepam" 96.06 585 100.00 100.00 0.00e+00 PDB 2BXG "Human Serum Albumin Complexed With Ibuprofen" 96.06 585 100.00 100.00 0.00e+00 PDB 2BXH "Human Serum Albumin Complexed With Indoxyl Sulfate" 96.06 585 100.00 100.00 0.00e+00 PDB 2BXI "Human Serum Albumin Complexed With Myristate And Azapropazone" 96.06 585 99.83 99.83 0.00e+00 PDB 2BXK "Human Serum Albumin Complexed With Myristate, Azapropazone And Indomethacin" 96.06 585 99.83 99.83 0.00e+00 PDB 2BXL "Human Serum Albumin Complexed With Myristate And 3,5- Diiodosalicylic Acid" 96.06 585 100.00 100.00 0.00e+00 PDB 2BXM "Human Serum Albumin Complexed With Myristate And Indomethacin" 96.06 585 100.00 100.00 0.00e+00 PDB 2BXN "Human Serum Albumin Complexed With Myristate And Iodipamide" 96.06 585 100.00 100.00 0.00e+00 PDB 2BXO "Human Serum Albumin Complexed With Myristate And Oxyphenbutazone" 96.06 585 100.00 100.00 0.00e+00 PDB 2BXP "Human Serum Albumin Complexed With Myristate And Phenylbutazone" 96.06 585 100.00 100.00 0.00e+00 PDB 2BXQ "Human Serum Albumin Complexed With Myristate, Phenylbutazone And Indomethacin" 96.06 585 99.83 99.83 0.00e+00 PDB 2ESG "Solution Structure Of The Complex Between Immunoglobulin Iga1 And Human Serum Albumin" 96.06 585 100.00 100.00 0.00e+00 PDB 2I2Z "Human Serum Albumin Complexed With Myristate And Aspirin" 96.06 585 99.83 99.83 0.00e+00 PDB 2I30 "Human Serum Albumin Complexed With Myristate And Salicylic Acid" 96.06 585 100.00 100.00 0.00e+00 PDB 2VDB "Structure Of Human Serum Albumin With S-Naproxen And The Ga Module" 95.07 579 100.00 100.00 0.00e+00 PDB 2VUE "Human Serum Albumin Complexed With 4z,15e-Bilirubin-Ix- Alpha" 96.06 585 100.00 100.00 0.00e+00 PDB 2VUF "Human Serum Albumin Complexed With Fusidic Acid" 96.06 585 100.00 100.00 0.00e+00 PDB 2XSI "Human Serum Albumin Complexed With Dansyl-L-Glutamate And Myristic Acid" 96.06 585 99.83 99.83 0.00e+00 PDB 2XVQ "Human Serum Albumin Complexed With Dansyl-L-Sarcosine" 96.06 585 100.00 100.00 0.00e+00 PDB 2XVU "Human Serum Albumin Complexed With Dansyl-L-Asparagine" 96.06 585 100.00 100.00 0.00e+00 PDB 2XVV "Human Serum Albumin Complexed With Dansyl-L-Asparagine And Myristic Acid" 96.06 585 99.83 99.83 0.00e+00 PDB 2XVW "Human Serum Albumin Complexed With Dansyl-L-Arginine And Myristic Acid" 96.06 585 99.83 99.83 0.00e+00 PDB 2XW0 "Human Serum Albumin Complexed With Dansyl-L-Phenylalanine" 96.06 585 100.00 100.00 0.00e+00 PDB 2XW1 "Human Serum Albumin Complexed With Dansyl-L-Norvaline" 96.06 585 100.00 100.00 0.00e+00 PDB 2YDF "Human Serum Albumin Complexed With Iophenoxic Acid" 96.06 585 100.00 100.00 0.00e+00 PDB 3A73 "Crystal Structure Analysis Of Human Serum Albumin Complexed With Delta 12-prostaglandin J2" 96.06 585 100.00 100.00 0.00e+00 PDB 3B9L "Human Serum Albumin Complexed With Myristate And Azt" 96.06 585 100.00 100.00 0.00e+00 PDB 3B9M "Human Serum Albumin Complexed With Myristate, 3'-Azido-3'- Deoxythymidine (Azt) And Salicylic Acid" 96.06 585 100.00 100.00 0.00e+00 PDB 3CX9 "Crystal Structure Of Human Serum Albumin Complexed With Myristic Acid And Lysophosphatidylethanolamine" 95.57 582 100.00 100.00 0.00e+00 PDB 3JQZ "Crystal Structure Of Human Serum Albumin Complexed With Lidocaine" 96.06 585 100.00 100.00 0.00e+00 PDB 3JRY "Human Serum Albumin With Bound Sulfate" 96.06 585 100.00 100.00 0.00e+00 PDB 3LU6 "Human Serum Albumin In Complex With Compound 1" 96.06 585 100.00 100.00 0.00e+00 PDB 3LU7 "Human Serum Albumin In Complex With Compound 2" 96.06 585 100.00 100.00 0.00e+00 PDB 3LU8 "Human Serum Albumin In Complex With Compound 3" 96.06 585 100.00 100.00 0.00e+00 PDB 3SQJ "Recombinant Human Serum Albumin From Transgenic Plant" 95.57 582 100.00 100.00 0.00e+00 PDB 3TDL "Structure Of Human Serum Albumin In Complex With Dauda" 96.06 585 100.00 100.00 0.00e+00 PDB 3UIV "Human Serum Albumin-Myristate-Amantadine Hydrochloride Complex" 96.06 585 100.00 100.00 0.00e+00 PDB 4BKE "Recombinant Human Serum Albumin With Palmitic Acid. Synthetic Cationic Antimicrobial Peptides Bind With Their Hydrophobic Parts" 100.00 609 100.00 100.00 0.00e+00 PDB 4E99 "Human Serum Albumin Complex With Perfluorooctane Sulfonate Potassium" 96.06 585 100.00 100.00 0.00e+00 PDB 4EMX "Crystal Structure Analysis Of Human Serum Albumin In Complex With Chloride Anions At Cryogenic Temperature" 96.06 585 100.00 100.00 0.00e+00 PDB 4G03 "High-resolution Crystal Structural Variance Analysis Between Recombinant And Wild-type Human Serum Albumin" 96.06 585 100.00 100.00 0.00e+00 PDB 4G04 "High-resolution Crystal Structural Variance Analysis Between Recombinant And Wild-type Human Serum Albumin" 96.06 585 100.00 100.00 0.00e+00 PDB 4HGK "Shark Ignar Variable Domain" 96.06 585 100.00 100.00 0.00e+00 PDB 4HGM "Shark Ignar Variable Domain" 96.06 585 100.00 100.00 0.00e+00 PDB 4IW1 "Hsa-fructose Complex" 96.06 585 100.00 100.00 0.00e+00 PDB 4IW2 "Hsa-glucose Complex" 96.06 585 100.00 100.00 0.00e+00 PDB 4K2C "Hsa Ligand Free" 96.06 585 100.00 100.00 0.00e+00 PDB 4K71 "Crystal Structure Of A High Affinity Human Serum Albumin Variant Bound To The Neonatal Fc Receptor" 96.06 585 99.32 99.49 0.00e+00 PDB 4L8U "X-ray Study Of Human Serum Albumin Complexed With 9 Amino Camptothecin" 96.06 585 100.00 100.00 0.00e+00 PDB 4L9K "X-ray Study Of Human Serum Albumin Complexed With Camptothecin" 96.06 585 100.00 100.00 0.00e+00 PDB 4L9Q "X-ray Study Of Human Serum Albumin Complexed With Teniposide" 96.06 585 100.00 100.00 0.00e+00 PDB 4LA0 "X-ray Study Of Human Serum Albumin Complexed With Bicalutamide" 96.06 585 100.00 100.00 0.00e+00 PDB 4LB2 "X-ray Study Of Human Serum Albumin Complexed With Idarubicin" 96.06 585 100.00 100.00 0.00e+00 PDB 4LB9 "X-ray Study Of Human Serum Albumin Complexed With Etoposide" 96.06 585 100.00 100.00 0.00e+00 PDB 4N0F "Human Fcrn Complexed With Human Serum Albumin" 96.06 585 100.00 100.00 0.00e+00 PDB 4N0U "Ternary Complex Between Neonatal Fc Receptor, Serum Albumin And Fc" 95.73 583 100.00 100.00 0.00e+00 PDB 4S1Y "X-ray Structure Of Human Serum Albumin Complexed With Cisplatin" 96.06 585 100.00 100.00 0.00e+00 DBJ BAF85444 "unnamed protein product [Homo sapiens]" 100.00 608 99.67 99.67 0.00e+00 DBJ BAG37325 "unnamed protein product [Homo sapiens]" 100.00 609 99.67 99.67 0.00e+00 DBJ BAG60658 "unnamed protein product [Homo sapiens]" 101.48 618 98.06 98.06 0.00e+00 EMBL CAA23753 "unnamed protein product [Homo sapiens]" 100.00 609 99.67 99.84 0.00e+00 EMBL CAA23754 "serum albumin [Homo sapiens]" 100.00 609 99.84 100.00 0.00e+00 EMBL CAH18185 "hypothetical protein [Homo sapiens]" 100.00 609 99.18 99.67 0.00e+00 EMBL CAI29688 "hypothetical protein [Pongo abelii]" 100.00 609 100.00 100.00 0.00e+00 GB AAA98797 "albumin [Homo sapiens]" 100.00 609 100.00 100.00 0.00e+00 GB AAA98798 "alloalbumin Venezia [Homo sapiens]" 97.70 604 100.00 100.00 0.00e+00 GB AAF01333 "serum albumin precursor [Homo sapiens]" 100.00 609 99.67 99.67 0.00e+00 GB AAF69594 "PRO0903 [Homo sapiens]" 100.00 609 100.00 100.00 0.00e+00 GB AAH34023 "Albumin [Homo sapiens]" 100.00 609 100.00 100.00 0.00e+00 REF NP_000468 "serum albumin preproprotein [Homo sapiens]" 100.00 609 100.00 100.00 0.00e+00 REF NP_001127106 "serum albumin precursor [Pongo abelii]" 100.00 609 98.52 99.18 0.00e+00 REF XP_003265777 "PREDICTED: serum albumin isoform X1 [Nomascus leucogenys]" 100.00 609 97.21 98.69 0.00e+00 REF XP_003832390 "PREDICTED: serum albumin [Pan paniscus]" 100.00 609 98.85 99.67 0.00e+00 REF XP_004038851 "PREDICTED: serum albumin [Gorilla gorilla gorilla]" 100.00 609 99.01 99.34 0.00e+00 SP P02768 "RecName: Full=Serum albumin; Flags: Precursor" 100.00 609 100.00 100.00 0.00e+00 SP Q5NVH5 "RecName: Full=Serum albumin; Flags: Precursor" 100.00 609 98.52 99.18 0.00e+00 stop_ save_ ############# # Ligands # ############# save_DTPA _Saveframe_category ligand _Mol_type non-polymer _Name_common DTPA _BMRB_code . _PDB_code . _Molecular_mass 393.35 _Mol_charge . _Mol_paramagnetic no _Mol_aromatic no _Details 'diethylene triamine pentaacetic acid' _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HSA Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HSA 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH of the solution was brought to 7.0 with NaOH' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $HSA 0.726 mM . . 'natural abundance' $DTPA . mM 0 5 'natural abundance' H2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software _Saveframe_category software _Name software _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 400 _Details . save_ ############################# # NMR applied experiments # ############################# save_NMR_Relaxation_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'NMR Relaxation' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 7.0 . pH pressure 1 . atm stop_ save_