data_17463 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the soluble methane monooxygenase regulatory protein B ; _BMRB_accession_number 17463 _BMRB_flat_file_name bmr17463.str _Entry_type original _Submission_date 2011-02-11 _Accession_date 2011-02-11 _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 Walters Kylie J. . 2 Gassner George T. . 3 Lippard Stephen J. . 4 Wagner Gerhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count chemical_rates 2 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 'Structure of the soluble methane monooxygenase regulatory protein B' _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 Walters Kylie J. . 2 Gassner George T. . 3 Lippard Stephen J. . 4 Wagner Gerhard . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 96 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7877 _Page_last 7882 _Year 1999 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MMOB/MMOBHa/MMOBHb/MMOBHg complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MMOB $MMOB MMOBHa $MMOBHa MMOBHb $MMOBHb MMOBHg $MMOBHg stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'MMOBHa, MMOBHb and MMOBHg all one complex' save_ ######################## # Monomeric polymers # ######################## save_MMOB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MMOB _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; MSVNSNAYDAGIMGLKGKDF ADQFFADENQVVHESDTVVL VLKKSDEINTFIEEILLTDY KKNVNPTVNVEDRAGYWWIK ANGKIEVDCDEISELLGRQF NVYDFLVDVSSTIGRAYTLG NKFTITSELMGLDRKLEDYH A ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 VAL 4 ASN 5 SER 6 ASN 7 ALA 8 TYR 9 ASP 10 ALA 11 GLY 12 ILE 13 MET 14 GLY 15 LEU 16 LYS 17 GLY 18 LYS 19 ASP 20 PHE 21 ALA 22 ASP 23 GLN 24 PHE 25 PHE 26 ALA 27 ASP 28 GLU 29 ASN 30 GLN 31 VAL 32 VAL 33 HIS 34 GLU 35 SER 36 ASP 37 THR 38 VAL 39 VAL 40 LEU 41 VAL 42 LEU 43 LYS 44 LYS 45 SER 46 ASP 47 GLU 48 ILE 49 ASN 50 THR 51 PHE 52 ILE 53 GLU 54 GLU 55 ILE 56 LEU 57 LEU 58 THR 59 ASP 60 TYR 61 LYS 62 LYS 63 ASN 64 VAL 65 ASN 66 PRO 67 THR 68 VAL 69 ASN 70 VAL 71 GLU 72 ASP 73 ARG 74 ALA 75 GLY 76 TYR 77 TRP 78 TRP 79 ILE 80 LYS 81 ALA 82 ASN 83 GLY 84 LYS 85 ILE 86 GLU 87 VAL 88 ASP 89 CYS 90 ASP 91 GLU 92 ILE 93 SER 94 GLU 95 LEU 96 LEU 97 GLY 98 ARG 99 GLN 100 PHE 101 ASN 102 VAL 103 TYR 104 ASP 105 PHE 106 LEU 107 VAL 108 ASP 109 VAL 110 SER 111 SER 112 THR 113 ILE 114 GLY 115 ARG 116 ALA 117 TYR 118 THR 119 LEU 120 GLY 121 ASN 122 LYS 123 PHE 124 THR 125 ILE 126 THR 127 SER 128 GLU 129 LEU 130 MET 131 GLY 132 LEU 133 ASP 134 ARG 135 LYS 136 LEU 137 GLU 138 ASP 139 TYR 140 HIS 141 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 4431 "methane monooxygenase regulatory protein B" 100.00 141 100.00 100.00 2.80e-97 PDB 1CKV "Structure Of The Soluble Methane Monooxygenase Regulatory Protein B" 100.00 141 100.00 100.00 2.80e-97 PDB 4GAM "Complex Structure Of Methane Monooxygenase Hydroxylase And Regulatory Subunit" 100.00 141 100.00 100.00 2.80e-97 GB AAF04158 "soluble methane monooxygenase regulatory protein B [Methylococcus capsulatus]" 100.00 141 100.00 100.00 2.80e-97 GB AAU92726 "methane monooxygenase, B subunit [Methylococcus capsulatus str. Bath]" 100.00 141 100.00 100.00 2.80e-97 REF WP_010960484 "methane monooxygenase regulatory protein B [Methylococcus capsulatus]" 100.00 141 100.00 100.00 2.80e-97 SP P18797 "RecName: Full=Methane monooxygenase regulatory protein B" 100.00 141 100.00 100.00 2.80e-97 stop_ save_ save_MMOBHa _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MMOBHa _Molecular_mass . _Mol_thiol_state 'not reported' _Details . _Residue_count 512 _Mol_residue_sequence ; AANRAPTSVNAQEVHRWLQS FNWDFKNNRTKYATKYKMAN ETKEQFKLIAKEYARMEAVK DERQFGSLQVALTRLNAGVR VHPKWNETMKVVSNFLEVGE YNAIAATGMLWDSAQAAEQK NGYLAQVLDEIRHTHQCAYV NYYFAKNGQDPAGHNDARRT RTIGPLWKGMKRVFSDGFIS GDAVECSLNLQLVGEACFTN PLIVAVTEWAAANGDEITPT VFLSIETDELRHMANGYQTV VSIANDPASAKYLNTDLNNA FWTQQKYFTPVLGMLFEYGS KFKVEPWVKTWDRWVYEDWG GIWIGRLGKYGVESPRSLKD AKQDAYWAHHDLYLLAYALW PTGFFRLALPDQEEMEWFEA NYPGWYDHYGKIYEEWRARG CEDPSSGFIPLMWFIENNHP IYIDRVSQVPFCPSLAKGAS TLRVHEYNGEMHTFSDQWGE RMWLAEPERYECQNIFEQYE GRELSEVIAELHGLRSDGKT LIAQPHVRGDKLWTLDDIKR LNCVFKNPVKAF ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ALA 3 ASN 4 ARG 5 ALA 6 PRO 7 THR 8 SER 9 VAL 10 ASN 11 ALA 12 GLN 13 GLU 14 VAL 15 HIS 16 ARG 17 TRP 18 LEU 19 GLN 20 SER 21 PHE 22 ASN 23 TRP 24 ASP 25 PHE 26 LYS 27 ASN 28 ASN 29 ARG 30 THR 31 LYS 32 TYR 33 ALA 34 THR 35 LYS 36 TYR 37 LYS 38 MET 39 ALA 40 ASN 41 GLU 42 THR 43 LYS 44 GLU 45 GLN 46 PHE 47 LYS 48 LEU 49 ILE 50 ALA 51 LYS 52 GLU 53 TYR 54 ALA 55 ARG 56 MET 57 GLU 58 ALA 59 VAL 60 LYS 61 ASP 62 GLU 63 ARG 64 GLN 65 PHE 66 GLY 67 SER 68 LEU 69 GLN 70 VAL 71 ALA 72 LEU 73 THR 74 ARG 75 LEU 76 ASN 77 ALA 78 GLY 79 VAL 80 ARG 81 VAL 82 HIS 83 PRO 84 LYS 85 TRP 86 ASN 87 GLU 88 THR 89 MET 90 LYS 91 VAL 92 VAL 93 SER 94 ASN 95 PHE 96 LEU 97 GLU 98 VAL 99 GLY 100 GLU 101 TYR 102 ASN 103 ALA 104 ILE 105 ALA 106 ALA 107 THR 108 GLY 109 MET 110 LEU 111 TRP 112 ASP 113 SER 114 ALA 115 GLN 116 ALA 117 ALA 118 GLU 119 GLN 120 LYS 121 ASN 122 GLY 123 TYR 124 LEU 125 ALA 126 GLN 127 VAL 128 LEU 129 ASP 130 GLU 131 ILE 132 ARG 133 HIS 134 THR 135 HIS 136 GLN 137 CYS 138 ALA 139 TYR 140 VAL 141 ASN 142 TYR 143 TYR 144 PHE 145 ALA 146 LYS 147 ASN 148 GLY 149 GLN 150 ASP 151 PRO 152 ALA 153 GLY 154 HIS 155 ASN 156 ASP 157 ALA 158 ARG 159 ARG 160 THR 161 ARG 162 THR 163 ILE 164 GLY 165 PRO 166 LEU 167 TRP 168 LYS 169 GLY 170 MET 171 LYS 172 ARG 173 VAL 174 PHE 175 SER 176 ASP 177 GLY 178 PHE 179 ILE 180 SER 181 GLY 182 ASP 183 ALA 184 VAL 185 GLU 186 CYS 187 SER 188 LEU 189 ASN 190 LEU 191 GLN 192 LEU 193 VAL 194 GLY 195 GLU 196 ALA 197 CYS 198 PHE 199 THR 200 ASN 201 PRO 202 LEU 203 ILE 204 VAL 205 ALA 206 VAL 207 THR 208 GLU 209 TRP 210 ALA 211 ALA 212 ALA 213 ASN 214 GLY 215 ASP 216 GLU 217 ILE 218 THR 219 PRO 220 THR 221 VAL 222 PHE 223 LEU 224 SER 225 ILE 226 GLU 227 THR 228 ASP 229 GLU 230 LEU 231 ARG 232 HIS 233 MET 234 ALA 235 ASN 236 GLY 237 TYR 238 GLN 239 THR 240 VAL 241 VAL 242 SER 243 ILE 244 ALA 245 ASN 246 ASP 247 PRO 248 ALA 249 SER 250 ALA 251 LYS 252 TYR 253 LEU 254 ASN 255 THR 256 ASP 257 LEU 258 ASN 259 ASN 260 ALA 261 PHE 262 TRP 263 THR 264 GLN 265 GLN 266 LYS 267 TYR 268 PHE 269 THR 270 PRO 271 VAL 272 LEU 273 GLY 274 MET 275 LEU 276 PHE 277 GLU 278 TYR 279 GLY 280 SER 281 LYS 282 PHE 283 LYS 284 VAL 285 GLU 286 PRO 287 TRP 288 VAL 289 LYS 290 THR 291 TRP 292 ASP 293 ARG 294 TRP 295 VAL 296 TYR 297 GLU 298 ASP 299 TRP 300 GLY 301 GLY 302 ILE 303 TRP 304 ILE 305 GLY 306 ARG 307 LEU 308 GLY 309 LYS 310 TYR 311 GLY 312 VAL 313 GLU 314 SER 315 PRO 316 ARG 317 SER 318 LEU 319 LYS 320 ASP 321 ALA 322 LYS 323 GLN 324 ASP 325 ALA 326 TYR 327 TRP 328 ALA 329 HIS 330 HIS 331 ASP 332 LEU 333 TYR 334 LEU 335 LEU 336 ALA 337 TYR 338 ALA 339 LEU 340 TRP 341 PRO 342 THR 343 GLY 344 PHE 345 PHE 346 ARG 347 LEU 348 ALA 349 LEU 350 PRO 351 ASP 352 GLN 353 GLU 354 GLU 355 MET 356 GLU 357 TRP 358 PHE 359 GLU 360 ALA 361 ASN 362 TYR 363 PRO 364 GLY 365 TRP 366 TYR 367 ASP 368 HIS 369 TYR 370 GLY 371 LYS 372 ILE 373 TYR 374 GLU 375 GLU 376 TRP 377 ARG 378 ALA 379 ARG 380 GLY 381 CYS 382 GLU 383 ASP 384 PRO 385 SER 386 SER 387 GLY 388 PHE 389 ILE 390 PRO 391 LEU 392 MET 393 TRP 394 PHE 395 ILE 396 GLU 397 ASN 398 ASN 399 HIS 400 PRO 401 ILE 402 TYR 403 ILE 404 ASP 405 ARG 406 VAL 407 SER 408 GLN 409 VAL 410 PRO 411 PHE 412 CYS 413 PRO 414 SER 415 LEU 416 ALA 417 LYS 418 GLY 419 ALA 420 SER 421 THR 422 LEU 423 ARG 424 VAL 425 HIS 426 GLU 427 TYR 428 ASN 429 GLY 430 GLU 431 MET 432 HIS 433 THR 434 PHE 435 SER 436 ASP 437 GLN 438 TRP 439 GLY 440 GLU 441 ARG 442 MET 443 TRP 444 LEU 445 ALA 446 GLU 447 PRO 448 GLU 449 ARG 450 TYR 451 GLU 452 CYS 453 GLN 454 ASN 455 ILE 456 PHE 457 GLU 458 GLN 459 TYR 460 GLU 461 GLY 462 ARG 463 GLU 464 LEU 465 SER 466 GLU 467 VAL 468 ILE 469 ALA 470 GLU 471 LEU 472 HIS 473 GLY 474 LEU 475 ARG 476 SER 477 ASP 478 GLY 479 LYS 480 THR 481 LEU 482 ILE 483 ALA 484 GLN 485 PRO 486 HIS 487 VAL 488 ARG 489 GLY 490 ASP 491 LYS 492 LEU 493 TRP 494 THR 495 LEU 496 ASP 497 ASP 498 ILE 499 LYS 500 ARG 501 LEU 502 ASN 503 CYS 504 VAL 505 PHE 506 LYS 507 ASN 508 PRO 509 VAL 510 LYS 511 ALA 512 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 PDB 1FYZ "Methane Monooxygenase Hydroxylase, Form Ii Reduced By Soaking" 100.00 527 99.80 99.80 0.00e+00 PDB 1FZ0 "Methane Monooxygenase Hydroxylase, Form Ii Mixed-Valent Grown Anaerobically" 100.00 527 99.80 99.80 0.00e+00 PDB 1FZ1 "Methane Monooxygenase Hydroxylase, Form Iii Oxidized" 100.00 527 99.80 99.80 0.00e+00 PDB 1FZ2 "Methane Monooxygenase Hydroxylase, Form Ii Mixed-Valent Generated By Crystal Soaking" 100.00 527 99.80 99.80 0.00e+00 PDB 1FZ3 "Methane Monooxygenase Hydroxylase, Form Iii Soak At Ph 6.2 (0.1 M Pipes)" 100.00 527 99.80 99.80 0.00e+00 PDB 1FZ4 "Methane Monooxygenase Hydroxylase, Form Iii Soaked At Ph 8.5 (0.1 M Tris)" 100.00 527 99.80 99.80 0.00e+00 PDB 1FZ5 "Methane Monooxygenase Hydroxylase, Form Ii Crystallized Anaerobically From Reduced Enzyme" 100.00 527 99.80 99.80 0.00e+00 PDB 1FZ6 "Methane Monooxygenase Hydroxylase, Form Ii Soaked In 1 M Methanol" 100.00 527 99.80 99.80 0.00e+00 PDB 1FZ7 "Methane Monooxygenase Hydroxylase, Form Iii Soaked In 0.9 M Ethanol" 100.00 527 99.80 99.80 0.00e+00 PDB 1FZ8 "Methane Monooxygenase Hydroxylase, Form Ii Cocrystallized With Dibromomethane" 100.00 527 99.80 99.80 0.00e+00 PDB 1FZ9 "Methane Monooxygenase Hydroxylase, Form Ii Cocrystallized With Iodoethane" 100.00 527 99.80 99.80 0.00e+00 PDB 1FZH "Methane Monooxygenase Hydroxylase, Form Ii Pressurized With Xenon Gas" 100.00 527 99.80 99.80 0.00e+00 PDB 1FZI "Methane Monooxygenase Hydroxylase, Form I Pressurized With Xenon Gas" 100.00 527 99.80 99.80 0.00e+00 PDB 1MMO "Crystal Structure Of A Bacterial Non-Haem Iron Hydroxylase That Catalyses The Biological Oxidation Of Methane" 100.00 512 100.00 100.00 0.00e+00 PDB 1MTY "Methane Monooxygenase Hydroxylase From Methylococcus Capsulatus (Bath)" 100.00 512 100.00 100.00 0.00e+00 PDB 1XMF "Structure Of Mn(Ii)-Soaked Apo Methane Monooxygenase Hydroxylase Crystals From M. Capsulatus (Bath)" 100.00 527 99.80 99.80 0.00e+00 PDB 1XMG "Crystal Structure Of Apo Methane Monooxygenase Hydroxylase From M. Capsulatus (Bath)" 100.00 527 99.80 99.80 0.00e+00 PDB 1XMH "Structure Of Co(Ii) Reconstituted Methane Monooxygenase Hydroxylase From M. Capsulatus (Bath)" 100.00 527 99.80 99.80 0.00e+00 PDB 1XU3 "Soluble Methane Monooxygenase Hydroxylase-Soaked With Bromophenol" 100.00 527 99.80 99.80 0.00e+00 PDB 1XU5 "Soluble Methane Monooxygenase Hydroxylase-phenol Soaked" 100.00 527 99.80 99.80 0.00e+00 PDB 1XVB "Soluble Methane Monooxygenase Hydroxylase: 6-Bromohexanol Soaked Structure" 100.00 527 99.80 99.80 0.00e+00 PDB 1XVC "Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure" 100.00 527 99.80 99.80 0.00e+00 PDB 1XVD "Soluble Methane Monooxygenase Hydroxylase: 4-Fluorophenol Soaked Structure" 100.00 527 99.80 99.80 0.00e+00 PDB 1XVE "Soluble Methane Monooxygenase Hydroxylase: 3-bromo-3- Butenol Soaked Structure" 100.00 527 99.80 99.80 0.00e+00 PDB 1XVF "Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure" 100.00 527 99.80 99.80 0.00e+00 PDB 1XVG "Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure" 100.00 527 99.80 99.80 0.00e+00 PDB 4GAM "Complex Structure Of Methane Monooxygenase Hydroxylase And Regulatory Subunit" 100.00 527 99.41 99.80 0.00e+00 GB AAB62392 "methane monooxygenase component A alpha chain [Methylococcus capsulatus]" 100.00 527 99.80 99.80 0.00e+00 GB AAU92736 "methane monooxygenase, A subunit, alpha chain [Methylococcus capsulatus str. Bath]" 100.00 527 99.41 99.80 0.00e+00 GB EAA20247 "hypothetical protein [Plasmodium yoelii yoelii]" 81.64 419 99.28 99.76 0.00e+00 REF WP_010960482 "methane monooxygenase [Methylococcus capsulatus]" 100.00 527 99.41 99.80 0.00e+00 REF XP_728682 "hypothetical protein [Plasmodium yoelii yoelii 17XNL]" 81.64 419 99.28 99.76 0.00e+00 REF YP_113659 "methane monooxygenase subunit A, alpha chain [Methylococcus capsulatus str. Bath]" 100.00 527 99.41 99.80 0.00e+00 SP P22869 "RecName: Full=Methane monooxygenase component A alpha chain; AltName: Full=Methane hydroxylase [Methylococcus capsulatus str. B" 100.00 527 99.41 99.80 0.00e+00 stop_ save_ save_MMOBHb _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MMOBHb _Molecular_mass . _Mol_thiol_state 'not reported' _Details . _Residue_count 384 _Mol_residue_sequence ; ERRRGLTDPEMAAVILKALP EAPLDGNNKMGYFVTPRWKR LTEYEALTVYAQPNADWIAG GLDWGDWTQKFHGGRPSWGN ETTELRTVDWFKHRDPLRRW HAPYVKDKAEEWRYTDRFLQ GYSADGQIRAMNPTWRTSSC NRYWGAFLFNEYGLFNAHSQ GAREALSDVTRVSLAFWGFD KIDIAQMIQLERGFLAKIVP GFDESTAVPKAEWTNGEVYK SARLAVEGLWQEVFDWNESA FSVHAVYDALFGQFVRREFF QRLAPRFGDNLTPFFINQAQ TYFQIAKQGVQDLYYNCLGD DPEFSDYNRTVMRNWTGKWL EPTIAALRDFMGLFAKLPAG TTDKEEITASLYRVVDDWIE DYASAIDFKADRDQIVKAVL AGLK ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 ARG 3 ARG 4 ARG 5 GLY 6 LEU 7 THR 8 ASP 9 PRO 10 GLU 11 MET 12 ALA 13 ALA 14 VAL 15 ILE 16 LEU 17 LYS 18 ALA 19 LEU 20 PRO 21 GLU 22 ALA 23 PRO 24 LEU 25 ASP 26 GLY 27 ASN 28 ASN 29 LYS 30 MET 31 GLY 32 TYR 33 PHE 34 VAL 35 THR 36 PRO 37 ARG 38 TRP 39 LYS 40 ARG 41 LEU 42 THR 43 GLU 44 TYR 45 GLU 46 ALA 47 LEU 48 THR 49 VAL 50 TYR 51 ALA 52 GLN 53 PRO 54 ASN 55 ALA 56 ASP 57 TRP 58 ILE 59 ALA 60 GLY 61 GLY 62 LEU 63 ASP 64 TRP 65 GLY 66 ASP 67 TRP 68 THR 69 GLN 70 LYS 71 PHE 72 HIS 73 GLY 74 GLY 75 ARG 76 PRO 77 SER 78 TRP 79 GLY 80 ASN 81 GLU 82 THR 83 THR 84 GLU 85 LEU 86 ARG 87 THR 88 VAL 89 ASP 90 TRP 91 PHE 92 LYS 93 HIS 94 ARG 95 ASP 96 PRO 97 LEU 98 ARG 99 ARG 100 TRP 101 HIS 102 ALA 103 PRO 104 TYR 105 VAL 106 LYS 107 ASP 108 LYS 109 ALA 110 GLU 111 GLU 112 TRP 113 ARG 114 TYR 115 THR 116 ASP 117 ARG 118 PHE 119 LEU 120 GLN 121 GLY 122 TYR 123 SER 124 ALA 125 ASP 126 GLY 127 GLN 128 ILE 129 ARG 130 ALA 131 MET 132 ASN 133 PRO 134 THR 135 TRP 136 ARG 137 THR 138 SER 139 SER 140 CYS 141 ASN 142 ARG 143 TYR 144 TRP 145 GLY 146 ALA 147 PHE 148 LEU 149 PHE 150 ASN 151 GLU 152 TYR 153 GLY 154 LEU 155 PHE 156 ASN 157 ALA 158 HIS 159 SER 160 GLN 161 GLY 162 ALA 163 ARG 164 GLU 165 ALA 166 LEU 167 SER 168 ASP 169 VAL 170 THR 171 ARG 172 VAL 173 SER 174 LEU 175 ALA 176 PHE 177 TRP 178 GLY 179 PHE 180 ASP 181 LYS 182 ILE 183 ASP 184 ILE 185 ALA 186 GLN 187 MET 188 ILE 189 GLN 190 LEU 191 GLU 192 ARG 193 GLY 194 PHE 195 LEU 196 ALA 197 LYS 198 ILE 199 VAL 200 PRO 201 GLY 202 PHE 203 ASP 204 GLU 205 SER 206 THR 207 ALA 208 VAL 209 PRO 210 LYS 211 ALA 212 GLU 213 TRP 214 THR 215 ASN 216 GLY 217 GLU 218 VAL 219 TYR 220 LYS 221 SER 222 ALA 223 ARG 224 LEU 225 ALA 226 VAL 227 GLU 228 GLY 229 LEU 230 TRP 231 GLN 232 GLU 233 VAL 234 PHE 235 ASP 236 TRP 237 ASN 238 GLU 239 SER 240 ALA 241 PHE 242 SER 243 VAL 244 HIS 245 ALA 246 VAL 247 TYR 248 ASP 249 ALA 250 LEU 251 PHE 252 GLY 253 GLN 254 PHE 255 VAL 256 ARG 257 ARG 258 GLU 259 PHE 260 PHE 261 GLN 262 ARG 263 LEU 264 ALA 265 PRO 266 ARG 267 PHE 268 GLY 269 ASP 270 ASN 271 LEU 272 THR 273 PRO 274 PHE 275 PHE 276 ILE 277 ASN 278 GLN 279 ALA 280 GLN 281 THR 282 TYR 283 PHE 284 GLN 285 ILE 286 ALA 287 LYS 288 GLN 289 GLY 290 VAL 291 GLN 292 ASP 293 LEU 294 TYR 295 TYR 296 ASN 297 CYS 298 LEU 299 GLY 300 ASP 301 ASP 302 PRO 303 GLU 304 PHE 305 SER 306 ASP 307 TYR 308 ASN 309 ARG 310 THR 311 VAL 312 MET 313 ARG 314 ASN 315 TRP 316 THR 317 GLY 318 LYS 319 TRP 320 LEU 321 GLU 322 PRO 323 THR 324 ILE 325 ALA 326 ALA 327 LEU 328 ARG 329 ASP 330 PHE 331 MET 332 GLY 333 LEU 334 PHE 335 ALA 336 LYS 337 LEU 338 PRO 339 ALA 340 GLY 341 THR 342 THR 343 ASP 344 LYS 345 GLU 346 GLU 347 ILE 348 THR 349 ALA 350 SER 351 LEU 352 TYR 353 ARG 354 VAL 355 VAL 356 ASP 357 ASP 358 TRP 359 ILE 360 GLU 361 ASP 362 TYR 363 ALA 364 SER 365 ALA 366 ILE 367 ASP 368 PHE 369 LYS 370 ALA 371 ASP 372 ARG 373 ASP 374 GLN 375 ILE 376 VAL 377 LYS 378 ALA 379 VAL 380 LEU 381 ALA 382 GLY 383 LEU 384 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 PDB 1FYZ "Methane Monooxygenase Hydroxylase, Form Ii Reduced By Soaking" 100.00 389 98.70 98.70 0.00e+00 PDB 1FZ0 "Methane Monooxygenase Hydroxylase, Form Ii Mixed-Valent Grown Anaerobically" 100.00 389 98.70 98.70 0.00e+00 PDB 1FZ1 "Methane Monooxygenase Hydroxylase, Form Iii Oxidized" 100.00 389 98.70 98.70 0.00e+00 PDB 1FZ2 "Methane Monooxygenase Hydroxylase, Form Ii Mixed-Valent Generated By Crystal Soaking" 100.00 389 98.70 98.70 0.00e+00 PDB 1FZ3 "Methane Monooxygenase Hydroxylase, Form Iii Soak At Ph 6.2 (0.1 M Pipes)" 100.00 389 98.70 98.70 0.00e+00 PDB 1FZ4 "Methane Monooxygenase Hydroxylase, Form Iii Soaked At Ph 8.5 (0.1 M Tris)" 100.00 389 98.70 98.70 0.00e+00 PDB 1FZ5 "Methane Monooxygenase Hydroxylase, Form Ii Crystallized Anaerobically From Reduced Enzyme" 100.00 389 98.70 98.70 0.00e+00 PDB 1FZ6 "Methane Monooxygenase Hydroxylase, Form Ii Soaked In 1 M Methanol" 100.00 389 98.70 98.70 0.00e+00 PDB 1FZ7 "Methane Monooxygenase Hydroxylase, Form Iii Soaked In 0.9 M Ethanol" 100.00 389 98.70 98.70 0.00e+00 PDB 1FZ8 "Methane Monooxygenase Hydroxylase, Form Ii Cocrystallized With Dibromomethane" 100.00 389 98.70 98.70 0.00e+00 PDB 1FZ9 "Methane Monooxygenase Hydroxylase, Form Ii Cocrystallized With Iodoethane" 100.00 389 98.70 98.70 0.00e+00 PDB 1FZH "Methane Monooxygenase Hydroxylase, Form Ii Pressurized With Xenon Gas" 100.00 389 98.70 98.70 0.00e+00 PDB 1FZI "Methane Monooxygenase Hydroxylase, Form I Pressurized With Xenon Gas" 100.00 389 98.70 98.70 0.00e+00 PDB 1MMO "Crystal Structure Of A Bacterial Non-Haem Iron Hydroxylase That Catalyses The Biological Oxidation Of Methane" 100.00 384 100.00 100.00 0.00e+00 PDB 1MTY "Methane Monooxygenase Hydroxylase From Methylococcus Capsulatus (Bath)" 100.00 384 98.70 98.70 0.00e+00 PDB 1XMF "Structure Of Mn(Ii)-Soaked Apo Methane Monooxygenase Hydroxylase Crystals From M. Capsulatus (Bath)" 100.00 388 98.44 98.44 0.00e+00 PDB 1XMG "Crystal Structure Of Apo Methane Monooxygenase Hydroxylase From M. Capsulatus (Bath)" 100.00 388 98.44 98.44 0.00e+00 PDB 1XMH "Structure Of Co(Ii) Reconstituted Methane Monooxygenase Hydroxylase From M. Capsulatus (Bath)" 100.00 388 98.44 98.44 0.00e+00 PDB 1XU3 "Soluble Methane Monooxygenase Hydroxylase-Soaked With Bromophenol" 100.00 389 98.70 98.70 0.00e+00 PDB 1XU5 "Soluble Methane Monooxygenase Hydroxylase-phenol Soaked" 100.00 389 98.70 98.70 0.00e+00 PDB 1XVB "Soluble Methane Monooxygenase Hydroxylase: 6-Bromohexanol Soaked Structure" 100.00 389 98.70 98.70 0.00e+00 PDB 1XVC "Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure" 100.00 389 98.70 98.70 0.00e+00 PDB 1XVD "Soluble Methane Monooxygenase Hydroxylase: 4-Fluorophenol Soaked Structure" 100.00 389 98.70 98.70 0.00e+00 PDB 1XVE "Soluble Methane Monooxygenase Hydroxylase: 3-bromo-3- Butenol Soaked Structure" 100.00 389 98.70 98.70 0.00e+00 PDB 1XVF "Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure" 100.00 389 98.70 98.70 0.00e+00 PDB 1XVG "Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure" 100.00 389 98.70 98.70 0.00e+00 PDB 4GAM "Complex Structure Of Methane Monooxygenase Hydroxylase And Regulatory Subunit" 100.00 389 98.70 98.70 0.00e+00 GB AAB62393 "methane monooxygenase A beta chain [Methylococcus capsulatus]" 100.00 389 98.96 98.96 0.00e+00 GB AAU92727 "methane monooxygenase, A subunit, beta chain [Methylococcus capsulatus str. Bath]" 100.00 389 98.70 98.70 0.00e+00 GB EAA20248 "methane monooxygenase component a beta chain [Plasmodium yoelii yoelii]" 100.00 389 98.18 98.18 0.00e+00 REF WP_010960483 "methane monooxygenase [Methylococcus capsulatus]" 100.00 389 98.70 98.70 0.00e+00 REF XP_728683 "methane monooxygenase component a subunit beta [Plasmodium yoelii yoelii 17XNL]" 100.00 389 98.18 98.18 0.00e+00 REF YP_113660 "methane monooxygenase subunit A, beta chain [Methylococcus capsulatus str. Bath]" 100.00 389 98.70 98.70 0.00e+00 SP P18798 "RecName: Full=Methane monooxygenase component A beta chain; AltName: Full=Methane hydroxylase [Methylococcus capsulatus str. Ba" 100.00 389 98.70 98.70 0.00e+00 stop_ save_ save_MMOBHg _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MMOBHg _Molecular_mass . _Mol_thiol_state 'not reported' _Details . _Residue_count 162 _Mol_residue_sequence ; LGIHSNDTRDAWVNKIAHVN TLEKAAEMLKQFRMDHTTPF RNSYELDNDYLWIEAKLEEK VAVLKARAFNEVDFRHKTAF GEDAKSVLDGTVAKMNAAKD KWEAEKIHIGFRQAYKPPIM PVNYFLDGERQLGTRLMELR NLNYYDTPLEELRKQRGVRV VH ; loop_ _Residue_seq_code _Residue_label 1 LEU 2 GLY 3 ILE 4 HIS 5 SER 6 ASN 7 ASP 8 THR 9 ARG 10 ASP 11 ALA 12 TRP 13 VAL 14 ASN 15 LYS 16 ILE 17 ALA 18 HIS 19 VAL 20 ASN 21 THR 22 LEU 23 GLU 24 LYS 25 ALA 26 ALA 27 GLU 28 MET 29 LEU 30 LYS 31 GLN 32 PHE 33 ARG 34 MET 35 ASP 36 HIS 37 THR 38 THR 39 PRO 40 PHE 41 ARG 42 ASN 43 SER 44 TYR 45 GLU 46 LEU 47 ASP 48 ASN 49 ASP 50 TYR 51 LEU 52 TRP 53 ILE 54 GLU 55 ALA 56 LYS 57 LEU 58 GLU 59 GLU 60 LYS 61 VAL 62 ALA 63 VAL 64 LEU 65 LYS 66 ALA 67 ARG 68 ALA 69 PHE 70 ASN 71 GLU 72 VAL 73 ASP 74 PHE 75 ARG 76 HIS 77 LYS 78 THR 79 ALA 80 PHE 81 GLY 82 GLU 83 ASP 84 ALA 85 LYS 86 SER 87 VAL 88 LEU 89 ASP 90 GLY 91 THR 92 VAL 93 ALA 94 LYS 95 MET 96 ASN 97 ALA 98 ALA 99 LYS 100 ASP 101 LYS 102 TRP 103 GLU 104 ALA 105 GLU 106 LYS 107 ILE 108 HIS 109 ILE 110 GLY 111 PHE 112 ARG 113 GLN 114 ALA 115 TYR 116 LYS 117 PRO 118 PRO 119 ILE 120 MET 121 PRO 122 VAL 123 ASN 124 TYR 125 PHE 126 LEU 127 ASP 128 GLY 129 GLU 130 ARG 131 GLN 132 LEU 133 GLY 134 THR 135 ARG 136 LEU 137 MET 138 GLU 139 LEU 140 ARG 141 ASN 142 LEU 143 ASN 144 TYR 145 TYR 146 ASP 147 THR 148 PRO 149 LEU 150 GLU 151 GLU 152 LEU 153 ARG 154 LYS 155 GLN 156 ARG 157 GLY 158 VAL 159 ARG 160 VAL 161 VAL 162 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-10 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 PDB 1FYZ "Methane Monooxygenase Hydroxylase, Form Ii Reduced By Soaking" 100.00 170 98.77 99.38 1.93e-114 PDB 1FZ0 "Methane Monooxygenase Hydroxylase, Form Ii Mixed-Valent Grown Anaerobically" 100.00 170 98.77 99.38 1.93e-114 PDB 1FZ1 "Methane Monooxygenase Hydroxylase, Form Iii Oxidized" 100.00 170 98.77 99.38 1.93e-114 PDB 1FZ2 "Methane Monooxygenase Hydroxylase, Form Ii Mixed-Valent Generated By Crystal Soaking" 100.00 170 98.77 99.38 1.93e-114 PDB 1FZ3 "Methane Monooxygenase Hydroxylase, Form Iii Soak At Ph 6.2 (0.1 M Pipes)" 100.00 170 98.77 99.38 1.93e-114 PDB 1FZ4 "Methane Monooxygenase Hydroxylase, Form Iii Soaked At Ph 8.5 (0.1 M Tris)" 100.00 170 98.77 99.38 1.93e-114 PDB 1FZ5 "Methane Monooxygenase Hydroxylase, Form Ii Crystallized Anaerobically From Reduced Enzyme" 100.00 170 98.77 99.38 1.93e-114 PDB 1FZ6 "Methane Monooxygenase Hydroxylase, Form Ii Soaked In 1 M Methanol" 100.00 170 98.77 99.38 1.93e-114 PDB 1FZ7 "Methane Monooxygenase Hydroxylase, Form Iii Soaked In 0.9 M Ethanol" 100.00 170 98.77 99.38 1.93e-114 PDB 1FZ8 "Methane Monooxygenase Hydroxylase, Form Ii Cocrystallized With Dibromomethane" 100.00 170 98.77 99.38 1.93e-114 PDB 1FZ9 "Methane Monooxygenase Hydroxylase, Form Ii Cocrystallized With Iodoethane" 100.00 170 98.77 99.38 1.93e-114 PDB 1FZH "Methane Monooxygenase Hydroxylase, Form Ii Pressurized With Xenon Gas" 100.00 170 98.77 99.38 1.93e-114 PDB 1FZI "Methane Monooxygenase Hydroxylase, Form I Pressurized With Xenon Gas" 100.00 170 98.77 99.38 1.93e-114 PDB 1MMO "Crystal Structure Of A Bacterial Non-Haem Iron Hydroxylase That Catalyses The Biological Oxidation Of Methane" 100.00 162 100.00 100.00 9.53e-116 PDB 1MTY "Methane Monooxygenase Hydroxylase From Methylococcus Capsulatus (Bath)" 100.00 162 100.00 100.00 9.53e-116 PDB 1XMF "Structure Of Mn(Ii)-Soaked Apo Methane Monooxygenase Hydroxylase Crystals From M. Capsulatus (Bath)" 100.00 169 98.77 99.38 1.86e-114 PDB 1XMG "Crystal Structure Of Apo Methane Monooxygenase Hydroxylase From M. Capsulatus (Bath)" 100.00 169 98.77 99.38 1.86e-114 PDB 1XMH "Structure Of Co(Ii) Reconstituted Methane Monooxygenase Hydroxylase From M. Capsulatus (Bath)" 100.00 169 98.77 99.38 1.86e-114 PDB 1XU3 "Soluble Methane Monooxygenase Hydroxylase-Soaked With Bromophenol" 100.00 170 98.77 99.38 1.93e-114 PDB 1XU5 "Soluble Methane Monooxygenase Hydroxylase-phenol Soaked" 100.00 170 98.77 99.38 1.93e-114 PDB 1XVB "Soluble Methane Monooxygenase Hydroxylase: 6-Bromohexanol Soaked Structure" 100.00 170 98.77 99.38 1.93e-114 PDB 1XVC "Soluble Methane Monooxygenase Hydroxylase: 8-Bromooctanol Soaked Structure" 100.00 170 98.77 99.38 1.93e-114 PDB 1XVD "Soluble Methane Monooxygenase Hydroxylase: 4-Fluorophenol Soaked Structure" 100.00 170 98.77 99.38 1.93e-114 PDB 1XVE "Soluble Methane Monooxygenase Hydroxylase: 3-bromo-3- Butenol Soaked Structure" 100.00 170 98.77 99.38 1.93e-114 PDB 1XVF "Soluble Methane Monooxygenase Hydroxylase: Chloropropanol Soaked Structure" 100.00 170 98.77 99.38 1.93e-114 PDB 1XVG "Soluble Methane Monooxygenase Hydroxylase: Bromoethanol Soaked Structure" 100.00 170 98.77 99.38 1.93e-114 PDB 4GAM "Complex Structure Of Methane Monooxygenase Hydroxylase And Regulatory Subunit" 100.00 170 98.77 99.38 1.93e-114 GB AAF04157 "soluble methane monooxygenase hydroxylase component gamma subunit [Methylococcus capsulatus]" 100.00 170 98.77 99.38 1.93e-114 GB AAU92724 "methane monooxygenase, A subunit, gamma chain [Methylococcus capsulatus str. Bath]" 100.00 170 98.77 99.38 1.93e-114 REF WP_010960485 "methane monooxygenase [Methylococcus capsulatus]" 100.00 170 98.77 99.38 1.93e-114 REF WP_017364983 "methane monooxygenase [Methylococcus capsulatus]" 100.00 170 98.15 99.38 5.05e-114 REF YP_113663 "methane monooxygenase subunit A, gamma chain [Methylococcus capsulatus str. Bath]" 100.00 170 98.77 99.38 1.93e-114 SP P11987 "RecName: Full=Methane monooxygenase component A gamma chain; AltName: Full=Methane hydroxylase [Methylococcus capsulatus str. B" 100.00 170 98.77 99.38 1.93e-114 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MMOBHa 'M. capsulatus' 414 Bacteria . Methylococcus capsulatus $MMOBHb 'M. capsulatus' 414 Bacteria . Methylococcus capsulatus $MMOBHg 'M. capsulatus' 414 Bacteria . Methylococcus capsulatus $MMOB 'E. coli' 562 Bacteria . Escherichia coli 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 $MMOBHa 'purified from the natural source' . . . . . $MMOBHb 'purified from the natural source' . . . . . $MMOBHg 'purified from the natural source' . . . . . $MMOB 'purified from the natural source' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'MMOBa, MMOBb, MMOBg all one construct and titrated into solution' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling 'sodium phosphate buffer' 50 mM . . 'natural abundance' Pefabloc 4 mM . . 'natural abundance' $MMOB 0.2 mM . . [U-15N] 'sodium azide' 0.1 % . . 'natural abundance' $MMOBHa . mM 0.02 0.1 'natural abundance' $MMOBHb . mM 0.02 0.1 'natural abundance' $MMOBHg . mM 0.02 0.1 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 400 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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 6.5 . pH pressure 1 . atm stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 318 . K pH 6.5 . pH pressure 1 . atm stop_ save_