› 1qh8

X-ray diffraction
1.6Å resolution

NITROGENASE MOFE PROTEIN FROM KLEBSIELLA PNEUMONIAE, AS-CRYSTALLIZED (MIXED OXIDATION) STATE

Released:
DOI: 10.2210/pdb1qh8/pdb
PDB entry 1qh8 coloured by chain, front view.
PDB entry 1qh8 coloured by chain, side view.
PDB entry 1qh8 coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Primary publication:
New insights into structure-function relationships in nitrogenase: A 1.6 A resolution X-ray crystallographic study of Klebsiella pneumoniae MoFe-protein.
Mayer SM, Lawson DM, Gormal CA, Roe SM, Smith BE
J Mol Biol 292 871-91 (1999)
PMID: 10525412

Function and Biology Details

Reaction catalysed: 
8 reduced ferredoxin + 8 H(+) + N(2) + 16 ATP + 16 H(2)O = 8 oxidized ferredoxin + H(2) + 2 NH(3) + 16 ADP + 16 phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132542 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Nitrogenase molybdenum-iron protein alpha chain Chains: A, C
Molecule details ›
Chains: A, C
Length: 478 amino acids
Theoretical weight: 53.63 KDa
Source organism: Klebsiella pneumoniae
UniProt:
  • Canonical: P00466 (Residues: 3-480; Coverage: 99%)
Gene name: nifD
Sequence domains: Nitrogenase component 1 type Oxidoreductase
Structure domains: Nitrogenase molybdenum iron protein domain
Nitrogenase molybdenum-iron protein beta chain Chains: B, D
Molecule details ›
Chains: B, D
Length: 519 amino acids
Theoretical weight: 58.34 KDa
Source organism: Klebsiella pneumoniae
UniProt:
  • Canonical: P09772 (Residues: 2-520; Coverage: 100%)
Gene name: nifK
Sequence domains:
Structure domains:

Ligands and Environments

6 bound ligands:
Ligand MG 7 x MG
Ligand HCA 2 x HCA
Ligand CFM 2 x CFM
Ligand CLF 2 x CLF
Ligand EDO 17 x EDO
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X11
Spacegroup: C2
Unit cell:
a: 203.03Å b: 74.9Å c: 162.12Å
α: 90° β: 122.8° γ: 90°
R-values:
R R work R free
0.155 0.155 0.197

Quick links

Citations

17 review citations

Mechanism of nitrogen fixation by nitrogenase: the next stage.
Hoffman et al. (2014)
16 more

8 mentions without citation

Lone pair ... pi interactions between water oxygens and aromatic residues: quantum chemical studies based on high-resolution protein structures and model compounds.
Jain et al. (2009)
7 more