Structure of PDB 3sqg Chain H Binding Site BS02

Receptor Information
>3sqg Chain H (length=431) Species: 115547 (uncultured archaeon) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEIDLYDDKGKKLAAGVPLQNISPLKNAAIKKIVNLTIRTGAVDLAGLEK
KFATGAIAGRGMVIRGVNRNLPIVDKAKEIAKAVEDMLRVESGDDTNVEL
IAGGKRMMVQPPTARILSDYSVGLTASMGALTHAIIDVCNVSMWDAPYVH
AGVWGMYPQNPDPGDGAVKMLVDIPMKNEGPGFTLRNIPVNHLAATVRKR
AMQGAGLTMILEEAAQFEMGNCMGPHERGHLLDLAYEGLNANNLLYSLIK
DNGQDGSLGDVIYAAVEKAKADGVIKSLKKMPSGFTVYDADDMQLWNAYA
CTAMLAGVCVNCASMRAGQPVPGNIMQACCLIERETGLPGPDFGMAQGAS
VSSSFFSHSIYGGGGPGVFYGNHIVTRHAKGQFIPCFCAAMCIDADTMYF
SPARTSALYGEVLGAIPEFAEPMRAVAEAAK
Ligand information
Ligand IDTP7
InChIInChI=1S/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t8-,10+/m1/s1
InChIKeyJBJSVEVEEGOEBZ-SCZZXKLOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O
OpenEye OEToolkits 1.7.6CC(C(C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O
CACTVS 3.385C[C@@H](O[P](O)(O)=O)[C@H](NC(=O)CCCCCCS)C(O)=O
CACTVS 3.385C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCCCS)C(O)=O
FormulaC11 H22 N O7 P S
NameCoenzyme B;
7-MERCAPTOHEPTANOYLTHREONINEPHOSPHATE
ChEMBL
DrugBank
ZINCZINC000003869535
PDB chain3sqg Chain G Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3sqg Structure of a methyl-coenzyme M reductase from Black Sea mats that oxidize methane anaerobically.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F358 Y363 G365 H375
Binding residue
(residue number reindexed from 1)		F356 Y361 G363 H373
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) Y363
Catalytic site (residue number reindexed from 1) Y361
Enzyme Commision number 2.8.4.1: coenzyme-B sulfoethylthiotransferase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0050524 coenzyme-B sulfoethylthiotransferase activity
Biological Process
GO:0015948 methanogenesis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3sqg, PDBe:3sqg, PDBj:3sqg
PDBsum3sqg
PubMed22121022
UniProtD1JBK2

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