Structure of PDB 5t61 Chain u Binding Site BS02

Receptor Information
>5t61 Chain u (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 chain5t61 Chain u Residue 102 [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)		L5 C22 M46 C61 C64 G65 C67
Binding residue
(residue number reindexed from 1)		L4 C21 M45 C60 C63 G64 C66
Annotation score4
External links