Structure of PDB 7qqa Chain C Binding Site BS02

Receptor Information
>7qqa Chain C (length=271) Species: 354 (Azotobacter vinelandii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRKVAIYGKGGIGKSTTTQNTAAALAYFHDKKVFIHGCDPKADSTRLILG
GKPQETLMDMLRDKGAEKITNDDVIKKGFLDIQCVESGGPEPGVGCAGRG
VITAIDLMEENGAYTDDLDFVFFDVLGDVVCGGFAMPIRDGKAQEVYIVA
SGEMMAIYAANNICKGLVKYAKQSGVRLGGIICNSRKVDGEREFLEEFTA
AIGTKMIHFVPRDNIVQKAEFNKKTVTEFAPEENQAKEYGELARKIIEND
EFVIPKPLTMDQLEDMVVKYG
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 chain7qqa Chain C Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qqa MgADP-bound Fe protein of the iron-only nitrogenase from Azotobacter vinelandii
Resolution1.79 Å
Binding residue
(original residue number in PDB)		C97 A98 C132 G134 F135
Binding residue
(residue number reindexed from 1)		C96 A97 C131 G133 F134
Annotation score1
Enzymatic activity
Enzyme Commision number 1.18.6.1: nitrogenase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016163 nitrogenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009399 nitrogen fixation

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Molecular Function
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Biological Process
External links
PDB RCSB:7qqa, PDBe:7qqa, PDBj:7qqa
PDBsum7qqa
PubMed
UniProtC1DK95

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