Structure of PDB 7b2c Chain D Binding Site BS03

Receptor Information
>7b2c Chain D (length=593) Species: 2766897 (Candidatus Ethanoperedens thermophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYPKQLFLESKNSKMNSIEMKYGQDPAINRAEFHVYGGVRQSKRKSEAWE
AAKRITKERGIPNYNPDLHLKGAQMGQKVLQTYRITGLDREWAGGEDTPA
HKGWKPGTDIAGLEMDDLNYENNPAMQQCYDDMRRTAINGLSIAHETIER
RFGKEVTPETINLYFEMLNHNIGAGAIMMEHTAETNPELVKDSYAKCFTG
NDELADALDQRFLIDINKMFPKYQADQIKAEVGDRIFQVARIPTMAVRTS
DGGLSRAWVGQQASLAFLCAYDIPAGDAVTSDFVFTIKHGDVVFMGTQLP
YRRAQRNNSAGGIALGYYSDCNQTSRTPEALEGLDGGIDPVKVIVEALTP
GCVITDQGWLHNYLAGGSSGWSNYIISVYTDEVLEDYGYHGAIYAMDKWK
CGVGEVPNTYENMMTIAEEVSRWSQKNYDEYPGLMEAHFGGSQRYSIQAA
ASGAAVGAMTGDPDLGNAAWHYNTPLCKEHYLRLGFYGHDLQDQQNMGHT
YSYRSDQGIPYELKGPNYPDFAMNVGHMGGYIGIIAGAAHARGAAYSTNP
IIKAAFADPNLQFDFRYPRREFGIGGLRQFMPAGERDAVIPPH
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)		R304 L366 W373 F488 M525 N526
Binding residue
(residue number reindexed from 1)		R302 L364 W371 F486 M523 N524
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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