Structure of PDB 7jmb Chain B Binding Site BS01

Receptor Information
>7jmb Chain B (length=262) Species: 145262 (Methanothermobacter thermautotrophicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPCFNEKLHDRVGRVHVPIAPRCNIHCKFCTRDINECERRPGVTGRLMTA
DDAIKHVEKVKEEMPISVIGVAGPGDALANEETFEFFKKASKKFPDLLKC
MSTNGLLLPDRADELAELGINTVTVTVNAVDPEIGEKIYSFVVYKDKVYH
GREAFEVLSRNQLEGIEKLAERGIIVKVNSVLIPGLNDEHIVDIAREVKK
RGASLMNIIPLIPMGEMKDYPRPTCEQIERVRNEVEKIIPVFRACTQCRA
DAYGIPGKKEAD
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 chain7jmb Chain B 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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PDB7jmb X-Ray Crystallographic Analysis of NifB with a Full Complement of Clusters: Structural Insights into the Radical SAM-Dependent Carbide Insertion During Nitrogenase Cofactor Assembly.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C38 I40 C42 C45 P89
Binding residue
(residue number reindexed from 1)		C23 I25 C27 C30 P74
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:7jmb, PDBe:7jmb, PDBj:7jmb
PDBsum7jmb
PubMed33035363
UniProtO27899

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