› 4r5m

X-ray diffraction
1.89Å resolution

Crystal structure of Vc-Aspartate beta-semialdehyde-dehydrogenase with NADP and 4-Nitro-2-Phosphono-Benzoic acid

Released:
DOI: 10.2210/pdb4r5m/pdb
PDB entry 4r5m coloured by chain, front view.
PDB entry 4r5m coloured by chain, side view.
PDB entry 4r5m coloured by chain, top view.
Source organism: Vibrio cholerae O1 biovar El Tor str. N16961
Primary publication:
A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Pavlovsky AG, Thangavelu B, Bhansali P, Viola RE
Acta Crystallogr D Biol Crystallogr 70 3244-52 (2014)
PMID: 25478842

Function and Biology Details

Reaction catalysed: 
L-aspartate 4-semialdehyde + phosphate + NADP(+) = L-4-aspartyl phosphate + NADPH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192028 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aspartate-semialdehyde dehydrogenase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 376 amino acids
Theoretical weight: 41.37 KDa
Source organism: Vibrio cholerae O1 biovar El Tor str. N16961
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9KQG2 (Residues: 1-370; Coverage: 100%)
Gene names: VC_2036, asd1
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAP 2 x NAP
2 bound ligands:
Ligand NA 1 x NA
Ligand 4NO 2 x 4NO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P43212
Unit cell:
a: 107.353Å b: 107.353Å c: 152.837Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.169 0.197
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 citation in other articles

A Fragment Library Screening Approach to Identify Selective Inhibitors against an Essential Fungal Enzyme.
Dahal et al. (2018)
1 more

1 mention without citation

Structural characterization of aspartate-semialdehyde dehydrogenase from Pseudomonas aeruginosa and Neisseria gonorrhoeae.
Teakel et al. (2022)