Structure of PDB 6nzj Chain B Binding Site BS01

Receptor Information

>6nzj Chain B (length=273) Species: 188937 (Methanosarcina acetivorans C2A)

MRQIAIYGKGGIGKSTTTQNLTAALSTMGNNILLVGCDPKADSTRMLLGG
LNQKTVLDTLRSEGDEGIDLDTVLQPGFGGIKCVESGGPEPGVGCAGRGI
ITSIGLLENLGAYTDDLDYVFYDVLGDVVCGGFAMPIREGKAKEIYIVAS
GELMAIYAANNICKGLAKFAKGGARLGGIICNSRKVDGERELLEAFAKKL
GSHLIHFVPRDNIVQRAEINRKTVIDFDRESDQAKEYLTLADNVQNNNKL
VVPTPLPMEELEAMMVEFGIVEL

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: 6nzj Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6nzj Structural Analysis of a Nitrogenase Iron Protein from Methanosarcina acetivorans: Implications for CO 2 Capture by a Surface-Exposed [Fe 4 S 4 ] Cluster.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): C95 A96 C130
• Binding residue (residue number reindexed from 1): C95 A96 C130
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K9 K14 K40 D127
• Catalytic site (residue number reindexed from 1): K9 K14 K40 D127
• 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:6nzj, PDBe:6nzj, PDBj:6nzj
• PDBsum: 6nzj
• PubMed: 31289188
• UniProt: Q8TJ93