Structure of PDB 7bke Chain C Binding Site BS01

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 201 [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)		C54 P55 Y62 I64 C88 T89 T90 C91 Y92 C94 T105
Binding residue
(residue number reindexed from 1)		C53 P54 Y61 I63 C87 T88 T89 C90 Y91 C93 T104
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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