Structure of PDB 5odc Chain I Binding Site BS03

Receptor Information
>5odc Chain I (length=173) Species: 523845 (Methanothermococcus thermolithotrophicus DSM 2095) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIYSSDLNKNLASQIIEAGTPIPGDDVVSSLKACYQCGTCTGSCPSGRRT
SYRTRKVIRKALLGMDDVLDSDDIWKCTTCYTCYERCPRDVKVTEIIKTI
RNLAAQKGNMAKAHKMTAMYVLKYGHAVPANKNTAELRKSIGLSEKAPIA
QFSEKDLNEMNTLIKELGFDELI
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 chain5odc Chain I Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5odc Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		C34 Y35 Q36 C37 G38 C40 C87 V91
Binding residue
(residue number reindexed from 1)		C34 Y35 Q36 C37 G38 C40 C87 V91
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.98.1: dihydromethanophenazine:CoB--CoM heterodisulfide reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
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:5odc, PDBe:5odc, PDBj:5odc
PDBsum5odc
PubMed28818947
UniProtA0A2D0TC97

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