Structure of PDB 7b2c Chain A Binding Site BS04

Receptor Information
>7b2c Chain A (length=591) Species: 2766897 (Candidatus Ethanoperedens thermophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKQLFLESKNSKMNSIEMKYGQDPAINRAEFHVYGGVRQSKRKSEAWEAA
KRITKERGIPNYNPDLHLKGAQMGQKVLQTYRITGLDREWAGGEDTPAHK
GWKPGTDIAGLEMDDLNYENNPAMQQCYDDMRRTAINGLSIAHETIERRF
GKEVTPETINLYFEMLNHNIGAGAIMMEHTAETNPELVKDSYAKCFTGND
ELADALDQRFLIDINKMFPKYQADQIKAEVGDRIFQVARIPTMAVRTSDG
GLSRAWVGQQASLAFLCAYDIPAGDAVTSDFVFTIKHGDVVFMGTQLPYR
RAQRNNSAGGIALGYYSDCNQTSRTPEALEGLDGGIDPVKVIVEALTPGC
VITDQGWLHNYLAGGSSGWSNYIISVYTDEVLEDYGYHGAIYAMDKWKCG
VGEVPNTYENMMTIAEEVSRWSQKNYDEYPGLMEAHFGGSQRYSIQAAAS
GAAVGAMTGDPDLGNAAWHYNTPLCKEHYLRLGFYGHDLQDQQNMGHTYS
YRSDQGIPYELKGPNYPDFAMNVGHMGGYIGIIAGAAHARGAAYSTNPII
KAAFADPNLQFDFRYPRREFGIGGLRQFMPAGERDAVIPPH
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 chain7b2c Chain D Residue 701 [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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PDB7b2c Crystal structure of a key enzyme for anaerobic ethane activation.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K290 H291
Binding residue
(residue number reindexed from 1)		K286 H287
Annotation score3
Enzymatic activity
Enzyme Commision number 2.8.4.1: coenzyme-B sulfoethylthiotransferase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0046872 metal ion binding
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:7b2c, PDBe:7b2c, PDBj:7b2c
PDBsum7b2c
PubMed34210888
UniProtA0A7R9R780

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