› 1ih8

X-ray diffraction
1.9Å resolution

NH3-dependent NAD+ Synthetase from Bacillus subtilis Complexed with AMP-CPP and Mg2+ ions.

Released:
DOI: 10.2210/pdb1ih8/pdb
PDB entry 1ih8 coloured by chain, front view.
PDB entry 1ih8 coloured by chain, side view.
PDB entry 1ih8 coloured by chain, top view.
Source organism: Bacillus subtilis
Primary publication:
Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis.
Devedjiev Y, Symersky J, Singh R, Jedrzejas M, Brouillette C, Brouillette W, Muccio D, Chattopadhyay D, DeLucas L
Acta Crystallogr D Biol Crystallogr 57 806-12 (2001)
PMID: 11375500

Function and Biology Details

Reaction catalysed: 
ATP + deamido-NAD(+) + NH(3) = AMP + diphosphate + NAD(+)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139945 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NH(3)-dependent NAD(+) synthetase Chains: A, B
Molecule details ›
Chains: A, B
Length: 271 amino acids
Theoretical weight: 30.3 KDa
Source organism: Bacillus subtilis
Expression system: Escherichia coli
UniProt:
  • Canonical: P08164 (Residues: 2-272; Coverage: 100%)
Gene names: BSU03130, nadE, outB
Sequence domains: NAD synthase
Structure domains: HUPs

Ligands and Environments

2 bound ligands:
Ligand MG 3 x MG
Ligand APC 1 x APC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P21
Unit cell:
a: 52.599Å b: 85.411Å c: 60.253Å
α: 90° β: 110.88° γ: 90°
R-values:
R R work R free
0.175 0.167 0.205
Expression system: Escherichia coli

Quick links

Citations

1 review citation

A structural perspective on the PP-loop ATP pyrophosphatase family.
Fellner et al. (2018)
16 other articles

1 mention without citation

New Frontiers in Druggability.
Kozakov et al. (2015)