Structure of PDB 5odi Chain J Binding Site BS01

Receptor Information
>5odi Chain J (length=138) Species: 523845 (Methanothermococcus thermolithotrophicus DSM 2095) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EWEPKIIGFCCNWCTYGGADTAGVGRMQYPPSIRIIRVMCSGRIEPSLIL
KAFKEGADGVFVGGCHLGDCHYDSGNYKWQRRVMMLYELLEELGIEKERL
NHEWISASEGEKFQNTMKDFYNKIEALGPCKLKEELDK
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 chain5odi Chain J Residue 200 [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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PDB5odi Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		C13 C42 S43 G66 C67 C72 H73 Y74
Binding residue
(residue number reindexed from 1)		C11 C40 S41 G64 C65 C70 H71 Y72
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:5odi, PDBe:5odi, PDBj:5odi
PDBsum5odi
PubMed28818947
UniProtA0A2D0TC98

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