Structure of PDB 7bke Chain C Binding Site BS02

Receptor Information
>7bke Chain C (length=189) Species: 323259 (Methanospirillum hungatei JF-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAKSYNIPELDKKLADRRYHLSDTNPEFTQKILKTSRTIANMCYQCGTCT
GSCPSAPRSSYRIRLFMRRCVLGLENEALTDPDLWLCTTCYSCTDRCPRD
IAPTDVIMAMRNLAFKRDIVPKNFLQTVQLIYNSGHGVPNNDVNRAARTK
LGLPADPPTTHSYPEFVKGIQKIIDHYELKENADRILKG
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7bke Chain C Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bke Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C44 Q46 C47 G48 C50 C98 P99
Binding residue
(residue number reindexed from 1)		C43 Q45 C46 G47 C49 C97 P98
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0051912 CoB--CoM heterodisulfide reductase activity
Biological Process
GO:0015948 methanogenesis

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Molecular Function
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Biological Process
External links
PDB RCSB:7bke, PDBe:7bke, PDBj:7bke
PDBsum7bke
PubMed34516836
UniProtQ2FKZ3

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