› 3upn

X-ray diffraction
2.2Å resolution

Structure of penicillin-binding protein A from M. tuberculosis: imipenem acyl-enzyme complex

Released:
DOI: 10.2210/pdb3upn/pdb
PDB entry 3upn coloured by chain, front view.
PDB entry 3upn coloured by chain, side view.
PDB entry 3upn coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
The role of the β5-α11 loop in the active-site dynamics of acylated penicillin-binding protein A from Mycobacterium tuberculosis.
Fedarovich A, Nicholas RA, Davies C
J Mol Biol 418 316-30 (2012)
PMID: 22365933

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-161731 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidoglycan D,D-transpeptidase PbpA Chains: A, B
Molecule details ›
Chains: A, B
Length: 462 amino acids
Theoretical weight: 48.46 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WKD1 (Residues: 35-491; Coverage: 93%)
Gene names: MTCY10H4.16c, Rv0016c, pbpA
Sequence domains: Penicillin binding protein transpeptidase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand IM2 2 x IM2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P61
Unit cell:
a: 122.8Å b: 122.8Å c: 101.1Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.216 0.214 0.258
Expression system: Escherichia coli BL21(DE3)

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Citations

4 review citations

The Growing Genetic and Functional Diversity of Extended Spectrum Beta-Lactamases.
Ur Rahman et al. (2018)
3 more

1 mention without citation

The role of the β5-α11 loop in the active-site dynamics of acylated penicillin-binding protein A from Mycobacterium tuberculosis.
Fedarovich et al. (2012)