Structure of PDB 7tqj Chain A Binding Site BS02

Receptor Information

>7tqj Chain A (length=272) Species: 354 (Azotobacter vinelandii)

AMRQCAIYGKGGIGKSTTTQNLVAALAEMGKKVMIVGCDPKADSTRLILH
SKAQNTIMEMAAEAGTVEDLELEDVLKAGYGGVKCVESGGPEPGVGCAGR
GVITAINFLEEEGAYEDDLDFVFYDVLGDVVCGGFAMPIRENKAQEIYIV
CSGEMMAMYAANNISKGIVKYANSGSVRLGGLICNSRNTDREDELIIALA
NKLGTQMIHFVPRDNVVQRAEIRRMTVIEYDPKAKQADEYRALARKVVDN
KLLVIPNPITMDELEELLMEFG

Ligand information

• Ligand ID: SFS
• InChI: InChI=1S/4Fe.4HSe/h;;;;4*1H
• InChIKey: HSQOKLBIIKAQNG-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.9.2: [Fe]12[Se]3[Fe]4[Se]1[Fe]5[Se]2[Fe]3[Se]45
  CACTVS 3.385: [Fe]1[Se][Fe][Se]1.[Fe]2[Se][Fe][Se]2
• Formula: Fe4 Se4
• Name: Fe4-Se4 cluster
• PDB chain: 7tqj Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7tqj Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster.
• Resolution: 1.48 Å
• Binding residue (original residue number in PDB): C97 C132 G133 F135
• Binding residue (residue number reindexed from 1): C97 C132 G133 F135
• Annotation score: 1

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

External links

• PDB: RCSB:7tqj, PDBe:7tqj, PDBj:7tqj
• PDBsum: 7tqj
• PubMed: 35904245
• UniProt: P00459|NIFH1_AZOVI Nitrogenase iron protein 1 (Gene Name=nifH1)