Structure of PDB 7bi7 Chain B Binding Site BS02

Receptor Information
>7bi7 Chain B (length=271) Species: 187420 (Methanothermobacter thermautotrophicus str. Delta H) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRFAHITKAHPCFNEKLHDRVGRVHVPIAPRCNIHCKFCTRDINECERRP
GVTGRLMTADDAIKHVEKVKEEMPISVIGVAGPGDALANEETFEFFKKAS
KKFPDLLKCMSTNGLLLPDRADELAELGINTVTVTVNAVDPEIGEKIYSF
VVYKDKVYHGREAFEVLSRNQLEGIEKLAERGIIVKVNSVLIPGLNDEHI
VDIAREVKKRGASLMNIIPLIPMGEMKDYPRPTCEQIERVRNEVEKIIPV
FRACTQCRADAYGIPGKKEAD
Ligand information
Ligand IDCLF
InChIInChI=1S/8Fe.7S
InChIKeyJKVMXLBGZBULKV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71
CACTVS 3.385S1[Fe]S[Fe]2S[Fe][S]234([Fe]1)[Fe]S[Fe]S[Fe]3S[Fe]4
FormulaFe8 S7
NameFE(8)-S(7) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7bi7 Chain B Residue 302 [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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PDB7bi7 An unexpected P-cluster like intermediate en route to the nitrogenase FeMo-co.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		H16 C18 H24 R29 H31 C115 K192 C260 T261 Q262 C263
Binding residue
(residue number reindexed from 1)		H10 C12 H18 R23 H25 C109 K186 C254 T255 Q256 C257
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:7bi7, PDBe:7bi7, PDBj:7bi7
PDBsum7bi7
PubMed34168778
UniProtO27899

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