Structure of PDB 7bi7 Chain A Binding Site BS01

Receptor Information
>7bi7 Chain A (length=279) 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
FRACTQCRADAYGIPGKKEADKHLDMTPA
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 chain7bi7 Chain A Residue 301 [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)		C38 I40 H41 C42 C45 R47 G90
Binding residue
(residue number reindexed from 1)		C32 I34 H35 C36 C39 R41 G84
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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