Structure of PDB 5t5i Chain P Binding Site BS02

Receptor Information
>5t5i Chain P (length=81) Species: 145261 (Methanothermobacter wolfeii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIGLKAYPELCHGCGNCVIACPVNALRSPEVAGGKGPTDDVEIIMIVEDG
VVNIKNPDLCGKCGTCVESCPVDAIRLEELE
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 chain5t5i Chain P 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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PDB5t5i The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L5 C22 I45 M46 C61 G62 K63 C64 G65 C67
Binding residue
(residue number reindexed from 1)		L4 C21 I44 M45 C60 G61 K62 C63 G64 C66
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:5t5i, PDBe:5t5i, PDBj:5t5i
PDBsum5t5i
PubMed27846502
UniProtQ1MVD4

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