Structure of PDB 5t61 Chain W Binding Site BS02

Receptor Information
>5t61 Chain W (length=80) Species: 145261 (Methanothermobacter wolfeii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIGLKAYPELCHGCGNCVIACPVNALRSPEVAGGKGPTDDVEIIMIVEDG
VVNIKNPDLCGKCGTCVESCPVDAIRLEEL
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 chain5t61 Chain W Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5t61 The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		C22 I45 C61 C64 C67
Binding residue
(residue number reindexed from 1)		C21 I44 C60 C63 C66
Annotation score4
External links