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› 1fsw

X-ray diffraction
1.9Å resolution

AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CEPHALOTHINBORONIC ACID

Released:
DOI: 10.2210/pdb1fsw/pdb
Model geometry
Fit model/data
PDB entry 1fsw coloured by chain, front view.
PDB entry 1fsw coloured by chain, side view.
PDB entry 1fsw coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases.
Caselli E, Powers RA, Blasczcak LC, Wu CY, Prati F, Shoichet BK
Chem Biol 8 17-31 (2001)
PMID: 11182316

Function and Biology Details

Reaction catalysed: 
a beta-lactam + H2O = a substituted beta-amino acid.
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-133600 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Chains: A, B
Molecule details ›
Chains: A, B
Length: 358 amino acids
Theoretical weight: 39.53 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P00811 (Residues: 20-376; Coverage: 100%)
Gene names: JW4111, ampA, ampC, b4150
Sequence domains: Beta-lactamase
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

2 bound ligands:
Ligand PO4 1 x PO4
Ligand CTB 2 x CTB
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 5ID-B
Spacegroup: C2
Unit cell:
a: 118.11Å b: 77.829Å c: 97.318Å
α: 90° β: 115.83° γ: 90°
R-values:
R R work R free
0.194 0.194 0.227
Expression system: Escherichia coli

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Citations

8 review citations

Three decades of beta-lactamase inhibitors.
Drawz et al. (2010)
7 more

2 mentions without citation

When Does Chemical Elaboration Induce a Ligand To Change Its Binding Mode?
Malhotra et al. (2017)
1 more