Structure of PDB 5odq Chain D Binding Site BS01

Receptor Information
>5odq Chain D (length=137) Species: 523845 (Methanothermococcus thermolithotrophicus DSM 2095) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WEPKIIGFCCNWCTYGGADTAGVGRMQYPPSIRIIRVMCSGRIEPSLILK
AFKEGADGVFVGGCHLGDCHYDSGNYKWQRRVMMLYELLEELGIEKERLN
HEWISASEGEKFQNTMKDFYNKIEALGPCKLKEELDK
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain5odq Chain D Residue 201 [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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PDB5odq Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		C13 C42 S43 G66 C67 C72 H73 Y74
Binding residue
(residue number reindexed from 1)		C10 C39 S40 G63 C64 C69 H70 Y71
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.98.1: dihydromethanophenazine:CoB--CoM heterodisulfide reductase.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051912 CoB--CoM heterodisulfide reductase activity

View graph for
Molecular Function
External links
PDB RCSB:5odq, PDBe:5odq, PDBj:5odq
PDBsum5odq
PubMed28818947
UniProtA0A2D0TC98

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