Structure of PDB 6o0b Chain A Binding Site BS01

Receptor Information

>6o0b Chain A (length=285) Species: 322710 (Azotobacter vinelandii DJ)

MRQCAIYGKGGIGKSTTTQNLVAALAEMGKKVMIVGCDPKADSTRLILHS
KAQNTIMEMAAEAGTVEDLELEDVLKAGYGGVKCVESGGPEPGVGCAGRG
VITAINFLEEEGAYEDDLDFVFYDVLGDVVCGGFAMPIRENKAQEIYIVC
SGEMMAMYAANNISKGIVKYANSGSVRLGGLICNSRNTDREDELIIALAN
KLGTQMIHFVPRDNVVQRAEIRRMTVIEYDPKAKQADEYRALARKVVDNK
LLVIPNPITMDELEELLMEFGIMEVEDESIVGKTA

Ligand information

• Ligand ID: SF4
• InChI: InChI=1S/4Fe.4S
• InChIKey: LJBDFODJNLIPKO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
  CACTVS 3.385: S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
• Formula: Fe4 S4
• Name: IRON/SULFUR CLUSTER
• PDB chain: 6o0b Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6o0b Structural and Mechanistic Insights into CO2Activation by Nitrogenase Iron Protein.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): C97 A98 C132 G134
• Binding residue (residue number reindexed from 1): C96 A97 C131 G133
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K10 K15 K41 D129
• Catalytic site (residue number reindexed from 1): K9 K14 K40 D128
• 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:6o0b, PDBe:6o0b, PDBj:6o0b
• PDBsum: 6o0b
• PubMed: 31402524
• UniProt: C1DGZ6