› 6vbl

X-ray diffraction
1.93Å resolution

Crystal structure of the transpeptidase domain of PBP2 from the Neisseria gonorrhoeae cephalosporin decreased susceptibility strain 35/02

Released:
DOI: 10.2210/pdb6vbl/pdb
Model geometry
Data not analysed
Fit model/data
Data not analysed
PDB entry 6vbl coloured by chain, front view.
PDB entry 6vbl coloured by chain, side view.
PDB entry 6vbl coloured by chain, top view.
Source organism: Neisseria gonorrhoeae
Primary publication:
Mutations in Neisseria gonorrhoeae penicillin-binding protein 2 associated with extended-spectrum cephalosporin resistance create an energetic barrier against acylation via restriction of protein dynamics
Singh A, Turner J, Tomberg J, Fedarovich A, Unemo M, Nicholas RA, Davies C
J. Biol. Chem. (2020)

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:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-186027 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Probable peptidoglycan D,D-transpeptidase PenA Chain: A
Molecule details ›
Chain: A
Length: 330 amino acids
Theoretical weight: 35.33 KDa
Source organism: Neisseria gonorrhoeae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8RR30 (Residues: 237-575; Coverage: 56%)
Gene name: penA
Sequence domains: Penicillin binding protein transpeptidase domain

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 50.621Å b: 61.085Å c: 109.14Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.183 0.205
Expression system: Escherichia coli BL21(DE3)

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