› 3hmq

X-ray diffraction
1.9Å resolution

1.9 Angstrom resolution crystal structure of a NAD synthetase (nadE) from Salmonella typhimurium LT2 in complex with NAD(+)

Released:
DOI: 10.2210/pdb3hmq/pdb
PDB entry 3hmq coloured by chain, front view.
PDB entry 3hmq coloured by chain, side view.
PDB entry 3hmq coloured by chain, top view.
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium
Entry authors: Halavaty AS, Wawrzak Z, Skarina T, Onopriyenko O, Peterson SN, Savchenko A, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187345 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NH(3)-dependent NAD(+) synthetase Chain: A
Molecule details ›
Chain: A
Length: 275 amino acids
Theoretical weight: 30.71 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8ZPU5 (Residues: 1-275; Coverage: 100%)
Gene names: STM1310, nadE
Sequence domains: NAD synthase
Structure domains: HUPs

Ligands and Environments

2 bound ligands:
Ligand SO4 8 x SO4
Ligand NAD 1 x NAD
1 modified residue:
Ligand MSE 4 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P3121
Unit cell:
a: 91.82Å b: 91.82Å c: 75.05Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.146 0.144 0.187
Expression system: Escherichia coli

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