› 2nsy

X-ray diffraction
2Å resolution

CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS IN COMPLEX WITH NAD-ADENYLATE

Released:
DOI: 10.2210/pdb2nsy/pdb
PDB entry 2nsy coloured by chain, front view.
PDB entry 2nsy coloured by chain, side view.
PDB entry 2nsy coloured by chain, top view.
Source organism: Bacillus subtilis
Primary publication:
A novel deamido-NAD+-binding site revealed by the trapped NAD-adenylate intermediate in the NAD+ synthetase structure.
Rizzi M, Bolognesi M, Coda A
Structure 6 1129-40 (1998)
PMID: 9753692

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

5 bound ligands:
Ligand MG 4 x MG
Ligand AMP 2 x AMP
Ligand NAD 2 x NAD
Ligand POP 2 x POP
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE BW7B
Spacegroup: P21
Unit cell:
a: 52.48Å b: 85.62Å c: 60.12Å
α: 90° β: 110.76° γ: 90°
R-values:
R R work R free
0.155 0.155 0.18
Expression system: Escherichia coli

Quick links

Citations

5 review citations

NAD+ metabolism: pathophysiologic mechanisms and therapeutic potential.
Xie et al. (2020)
4 more

2 mentions without citation

Targeting adenylate-forming enzymes with designed sulfonyladenosine inhibitors.
Lux et al. (2019)
1 more