Structure of PDB 1qgu Chain A

Receptor sequence

>1qguA (length=478) Species: 573 (Klebsiella pneumoniae)

TNATGERNLALIQEVLEVFPETARKERRKHMMVSDPKMKSVGKCIISNRK
SQPGVMTVRGCAYAGSKGVVFGPIKDMAHISHGPVGCGQYSRAGRRNYYT
GVSGVDSFGTLNFTSDFQERDIVFGGDKKLSKLIEEMELLFPLTKGITIQ
SECPVGLIGDDISAVANASSKALDKPVIPVRCEGFRGVSQSLGHHIANDV
VRDWILNNREGQPFETTPYDVAIIGDYNIGGDAWASRILLEEMGLRVVAQ
WSGDGTLVEMENTPFVKLNLVHCYRSMNYIARHMEEKHQIPWMEYNFFGP
TKIAESLRKIADQFDDTIRANAEAVIARYEGQMAAIIAKYRPRLEGRKVL
LYMGGLRPRHVIGAYEDLGMEIIAAGYEFAHNDDYDRTLPDLKEGTLLFD
DASSYELEAFVKALKPDLIGSGIKEKYIFQKMGVPFRQMHSWDYSGPYHG
YDGFAIFARDMDMTLNNPAWNELTAPWL

3D structure

• PDB: 1qgu New insights into structure-function relationships in nitrogenase: A 1.6 A resolution X-ray crystallographic study of Klebsiella pneumoniae MoFe-protein.
• Chain: A
• Resolution: 1.6 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C61 A64 R95 H194
• Catalytic site (residue number reindexed from 1): C61 A64 R95 H194
• Enzyme Commision number: 1.18.6.1: nitrogenase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	CFM	A	V69 R95 H194 Y227 C273 S276 G354 G355 L356 R357 F379 H440	V69 R95 H194 Y227 C273 S276 G354 G355 L356 R357 F379 H440
BS02	CLF	A	C61 Y63 G86 C87 Y90 C153 G184	C61 Y63 G86 C87 Y90 C153 G184

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0016163 nitrogenase activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding

Biological Process

• GO:0009399 nitrogen fixation

Cellular Component

• GO:0016612 molybdenum-iron nitrogenase complex

External links

• PDB: RCSB:1qgu, PDBe:1qgu, PDBj:1qgu
• PDBsum: 1qgu
• PubMed: 10525412
• UniProt: P00466|NIFD_KLEPN Nitrogenase molybdenum-iron protein alpha chain (Gene Name=nifD)