› 2qb3

X-ray diffraction
1.45Å resolution

Structural Studies Reveal the Inactivation of E. coli L-Aspartate Aminotransferase by (s)-4,5-dihydro-2-thiophenecarboxylic acid (SADTA) via Two Mechanisms (at pH 7.5)

Released:
DOI: 10.2210/pdb2qb3/pdb
PDB entry 2qb3 coloured by chain, front view.
PDB entry 2qb3 coloured by chain, side view.
PDB entry 2qb3 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms".
Liu D, Pozharski E, Lepore BW, Fu M, Silverman RB, Petsko GA, Ringe D
Biochemistry 46 10517-27 (2007)
PMID: 17713924

Function and Biology Details

Reaction catalysed: 
L-aspartate + 2-oxoglutarate = oxaloacetate + L-glutamate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132575 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aspartate aminotransferase Chain: A
Molecule details ›
Chain: A
Length: 396 amino acids
Theoretical weight: 43.74 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P00509 (Residues: 1-396; Coverage: 100%)
Gene names: JW0911, aspC, b0928
Sequence domains: Aminotransferase class I and II
Structure domains:

Ligands and Environments


Cofactor: Ligand PMP 1 x PMP
3 bound ligands:
Ligand SO4 2 x SO4
Ligand PSZ 1 x PSZ
Ligand GOL 7 x GOL
1 modified residue:
Ligand KST 1 x KST

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 14-BM-C
Spacegroup: C2221
Unit cell:
a: 153.316Å b: 85.145Å c: 78.833Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.144 0.142 0.178
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Design and Mechanism of GABA Aminotransferase Inactivators. Treatments for Epilepsies and Addictions.
Silverman RB. (2018)
1 more