2026-02-14_00000178
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hard
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9GAI
3-methylbenzoyl-CoA reductase from Thauera chlorobenzoica (MbdONPQ);
X-ray diffraction 1.90Å
Protein #1
445 residues (98% resolved)
Raw Sequence ...
MTLATQMTGEGKVLVGRGVYDGARLFRDWFDSLTEVAKRGEGAAYCFIAGNVIEVLRTFDIPATFPEINSLQTAFRNVSRDYINNAEDYGYSPDICGYVKIGVALQRRNGEHPMGKIPKPKIGMINNYCNTFIKWGEIWERTYNCPTINLDYPMTRSAGEKPKRGTQKFEYEKAYLKGQIEEAISVCERITGKKFDIDKFRQILAFSNDVNAGLKRVLELNRNKPAVFNAVTDGNIYMGVANALRGTEVASKYFKDLVEELEYRVVHGIGALDKGTEGTVPMKQSFRLALVGTPCYPIYRQFNEMFSRWGGIFVYSSYLDFASTGALTGYQYDLNDPIDSYAEGQLIMHASGSDSVFHESDNLKKLAPELGLDGVVFHPVKSCRTVSTGQADMRRIVANEMGLPTLFIESDLVDPDVVAEAPMRNRVDAFFEGLISRRQQQAASA
Canonical Sequence ...
MTLATQMTGEGKVLVGRGVYDGARLFRDWFDSLTEVAKRGEGAAYCFIAGNVIEVLRTFDIPATFPEINSLQTAFRNVSRDYINNAEDYGYSPDICGYVKIGVALQRRNGEHPMGKIPKPKIGMINNYCNTFIKWGEIWERTYNCPTINLDYPMTRSAGEKPKRGTQKFEYEKAYLKGQIEEAISVCERITGKKFDIDKFRQILAFSNDVNAGLKRVLELNRNKPAVFNAVTDGNIYMGVANALRGTEVASKYFKDLVEELEYRVVHGIGALDKGTEGTVPMKQSFRLALVGTPCYPIYRQFNEMFSRWGGIFVYSSYLDFASTGALTGYQYDLNDPIDSYAEGQLIMHASGSDSVFHESDNLKKLAPELGLDGVVFHPVKSCRTVSTGQADMRRIVANEMGLPTLFIESDLVDPDVVAEAPMRNRVDAFFEGLISRRQQQAASA
Protein #2
388 residues (100% resolved)
Raw Sequence ...
MAKKYFTGWEGKPLEQIFDLCRELVEDPAYPTVKAWRADGGRVIGHFQVYFPEEIAHAAGLLPVRICGAQTDGNESESHFGSYLCSIIKTSLDIALTKNIELDLFVTHPICDAARNLAPIWGRNFDYKCQILYLPQNPNSKHSKSYLANEYRRLLGDIESVAGRKITEQELRASVNLYNHSRRLMRDLYVIRKNQPWLLGADESMALVGLAGILPRSEFVELLEAVIPMILDRQASRQDKMRVVLEGGFCETPPFDLLQTITRSCYVVDDDVFIGLRFIVEDVVDSGDALADLADAYIDHSSYSPVQHDQRKPKEHMLLERVRNADAETVILASAKMCEPGLEEQVAYSKALEEAKIPYFISEFEENQNTFDQLAIQLETFVENIMFD
Canonical Sequence ...
MAKKYFTGWEGKPLEQIFDLCRELVEDPAYPTVKAWRADGGRVIGHFQVYFPEEIAHAAGLLPVRICGAQTDGNESESHFGSYLCSIIKTSLDIALTKNIELDLFVTHPICDAARNLAPIWGRNFDYKCQILYLPQNPNSKHSKSYLANEYRRLLGDIESVAGRKITEQELRASVNLYNHSRRLMRDLYVIRKNQPWLLGADESMALVGLAGILPRSEFVELLEAVIPMILDRQASRQDKMRVVLEGGFCETPPFDLLQTITRSCYVVDDDVFIGLRFIVEDVVDSGDALADLADAYIDHSSYSPVQHDQRKPKEHMLLERVRNADAETVILASAKMCEPGLEEQVAYSKALEEAKIPYFISEFEENQNTFDQLAIQLETFVENIMFD
Protein #3
273 residues (97% resolved)
Raw Sequence ...
MVYTIGVDIGSTYIKGLVLDEDSNIVAHHMRPTGADLQGAAELVVNETAEQAKINKGDLAYCITTGYGRYQYSGRDLQVTDLTATARGAVFLFPETRTVLDIGGQTMKASRLDGFHKVRTFRLNDKCASGTGMFLEKTVRYMGYDTAGIDGLLNSAKEAASISGVCTVFAESEVINHLSNSVPPEDIMYGAGMSLTKRSVQLLKRINVESQITLVGGIMRWGVMAKAIRDELNLGANVASGDMPQFTAALGCAILGHLRLKKLRGSGGDRRAA
Canonical Sequence ...
MVYTIGVDIGSTYIKGLVLDEDSNIVAHHMRPTGADLQGAAELVVNETAEQAKINKGDLAYCITTGYGRYQYSGRDLQVTDLTATARGAVFLFPETRTVLDIGGQTMKASRLDGFHKVRTFRLNDKCASGTGMFLEKTVRYMGYDTAGIDGLLNSAKEAASISGVCTVFAESEVINHLSNSVPPEDIMYGAGMSLTKRSVQLLKRINVESQITLVGGIMRWGVMAKAIRDELNLGANVASGDMPQFTAALGCAILGHLRLKKLRGSGGDRRAA
Protein #4
269 residues (97% resolved)
Raw Sequence ...
MKYTGGVDVGSTQTKAVILNEHQEIVGRALIFTGADVIQAAHSAFEQALASAKLKRSHVGYVIGTGYGRYKVTFGDRQVTEISCHGRGASHMFPGTQTVIDMGGQDTKAIRVAPNGEITDFCMNDKCAAGTGRFLGAAADALRIPLGELGQVSLKSEKPVRISTTCTVFAEAEVLSWLGKGKKVEDILWGVHQSIAARAIGLLRRVGIASEITFTGGVAKNVGMIKALEEKLGMKLNVSDDSHFMGALGAALFALSSLQAGEKSATQEA
Canonical Sequence ...
MKYTGGVDVGSTQTKAVILNEHQEIVGRALIFTGADVIQAAHSAFEQALASAKLKRSHVGYVIGTGYGRYKVTFGDRQVTEISCHGRGASHMFPGTQTVIDMGGQDTKAIRVAPNGEITDFCMNDKCAAGTGRFLGAAADALRIPLGELGQVSLKSEKPVRISTTCTVFAEAEVLSWLGKGKKVEDILWGVHQSIAARAIGLLRRVGIASEITFTGGVAKNVGMIKALEEKLGMKLNVSDDSHFMGALGAALFALSSLQAGEKSATQEA
Non polymer #5
ADP
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
Non polymer #6
ATP
InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
Non polymer #7
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #8
K
InChI=1S/K/q+1
InChI=1S/K/q+1
SMILES: [K+]
[K+]
Non polymer #9
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #10
SF4
InChI=1S/4Fe.4S
InChI=1S/4Fe.4S
SMILES: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
Biounit #1
hetero-1-1-1-1-mer
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Biounit #2
hetero-1-1-1-1-mer
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Biounit #3
hetero-1-1-1-1-mer
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Biounit #4
hetero-1-1-1-1-mer
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Tube
Model
Reference
100%