› 3equ

X-ray diffraction
2.4Å resolution

Crystal structure of penicillin-binding protein 2 from Neisseria gonorrhoeae

Released:
DOI: 10.2210/pdb3equ/pdb
PDB entry 3equ coloured by chain, front view.
PDB entry 3equ coloured by chain, side view.
PDB entry 3equ coloured by chain, top view.
Source organism: Neisseria gonorrhoeae
Primary publication:
Crystal structures of penicillin-binding protein 2 from penicillin-susceptible and -resistant strains of Neisseria gonorrhoeae reveal an unexpectedly subtle mechanism for antibiotic resistance.
Powell AJ, Tomberg J, Deacon AM, Nicholas RA, Davies C
J Biol Chem 284 1202-12 (2009)
PMID: 18986991

Function and Biology Details

Reaction catalysed: 
Preferential cleavage: (Ac)(2)-L-Lys-D-Ala-|-D-Ala. Also transpeptidation of peptidyl-alanyl moieties that are N-acyl substituents of D-alanine.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139932 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Probable peptidoglycan D,D-transpeptidase PenA Chains: A, B
Molecule details ›
Chains: A, B
Length: 542 amino acids
Theoretical weight: 59.61 KDa
Source organism: Neisseria gonorrhoeae
Expression system: Escherichia coli
UniProt:
  • Canonical: P08149 (Residues: 44-581; Coverage: 93%)
Gene name: penA
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand SO4 17 x SO4
Ligand GOL 2 x GOL
2 modified residues:
Ligand MSE 20 x MSE
Ligand SEP 2 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P212121
Unit cell:
a: 57.4Å b: 138.6Å c: 228Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.209 0.237
Expression system: Escherichia coli

Quick links

Citations

8 review citations

Antimicrobial resistance in Neisseria gonorrhoeae in the 21st century: past, evolution, and future.
Unemo et al. (2014)
7 more

13 mentions without citation

Emergence of multidrug-resistant, extensively drug-resistant and untreatable gonorrhea.
Unemo et al. (2012)
12 more