› 1ga9

X-ray diffraction
2.1Å resolution

CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH NON-BETA-LACTAMASE INHIBITOR (2, 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID)

Released:
DOI: 10.2210/pdb1ga9/pdb
PDB entry 1ga9 coloured by chain, front view.
PDB entry 1ga9 coloured by chain, side view.
PDB entry 1ga9 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase.
Tondi D, Powers RA, Caselli E, Negri MC, Blázquez J, Costi MP, Shoichet BK
Chem Biol 8 593-611 (2001)
PMID: 11410378

Function and Biology Details

Reaction catalysed: 
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133599 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Chains: A, B
Molecule details ›
Chains: A, B
Length: 358 amino acids
Theoretical weight: 39.59 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P00811 (Residues: 20-377; Coverage: 100%)
Gene names: JW4111, ampA, ampC, b4150
Sequence domains: Beta-lactamase
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

3 bound ligands:
Ligand PO4 2 x PO4
Ligand ETP 2 x ETP
Ligand K 1 x K
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 5ID-B
Spacegroup: C2
Unit cell:
a: 118.99Å b: 78.06Å c: 97.79Å
α: 90° β: 115.53° γ: 90°
R-values:
R R work R free
0.206 0.206 0.249
Expression system: Escherichia coli

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Citations

2 review citations

The bacterial cell wall as a source of antibacterial targets.
Green DW. (2002)
1 more