Structure of PDB 6fea Chain A Binding Site BS02

Receptor Information

>6fea Chain A (length=461) Species: 322710 (Azotobacter vinelandii DJ)

PMVLLECDKDIPERQKHIYLKAPNEDTREFLPIANAATIPGTLSERGCAF
CGAKLVIGGVLKDTIQMIHGPLGCAYDTWHTKRYPTDNGHFNMKYVWSTD
MKESHVVFGGEKRLEKSMHEAFDEMPDIKRMIVYTTCPTALIGDDIKAVA
KKVMKDRPDVDVFTVECPGFSGVSQSKGHHVLNIGWINEKVETMEKEITS
EYTMNFIGDFNIQGDTQLLQTYWDRLGIQVVAHFTGNGTYDDLRCMHQAQ
LNVVNCARSSGYIANELKKRYGIPRLDIDSWGFNYMAEGIRKICAFFGIE
EKGEELIAEEYAKWKPKLDWYKERLQGKKMAIWTGGPRLWHWTKSVEDDL
GVQVVAMSSKFGHEEDFEKVIARGKEGTYYIDDGNELEFFEIIDLVKPDV
IFTGPRVGELVKKLHIPYVNGHGYHNGPYMGFEGFVNLARDMYNAVHNPL
RHLAAVDIRDK

Ligand information

• Ligand ID: CO3
• InChI: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
• InChIKey: BVKZGUZCCUSVTD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: C(=O)([O-])[O-]
  ACDLabs 10.04
  CACTVS 3.341: [O-]C([O-])=O
• Formula: C O3
• Name: CARBONATE ION
• DrugBank: DB14531
• PDB chain: 6fea Chain A Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6fea A bound reaction intermediate sheds light on the mechanism of nitrogenase.
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): T335 G336 G337 P338 R339
• Binding residue (residue number reindexed from 1): T334 G335 G336 P337 R338
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C49 C52 K83 H180
• Catalytic site (residue number reindexed from 1): C48 C51 K82 H179
• 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:0051212 vanadium ion binding
• GO:0051536 iron-sulfur cluster binding

Biological Process

• GO:0009399 nitrogen fixation

External links

• PDB: RCSB:6fea, PDBe:6fea, PDBj:6fea
• PDBsum: 6fea
• PubMed: 29599235
• UniProt: C1DI25