› 3zfz

X-ray diffraction
2.25Å resolution

Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by soaking

Released:
DOI: 10.2210/pdb3zfz/pdb
PDB entry 3zfz coloured by chain, front view.
PDB entry 3zfz coloured by chain, side view.
PDB entry 3zfz coloured by chain, top view.
Source organism: Staphylococcus aureus subsp. aureus Mu50
Primary publication:
How allosteric control of Staphylococcus aureus penicillin binding protein 2a enables methicillin resistance and physiological function.
Otero LH, Rojas-Altuve A, Llarrull LI, Carrasco-López C, Kumarasiri M, Lastochkin E, Fishovitz J, Dawley M, Hesek D, Lee M, Johnson JW, Fisher JF, Chang M, Mobashery S, Hermoso JA
Proc Natl Acad Sci U S A 110 16808-13 (2013)
PMID: 24085846

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-101921 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Penicillin binding protein 2 prime Chains: A, B
Molecule details ›
Chains: A, B
Length: 642 amino acids
Theoretical weight: 73.29 KDa
Source organism: Staphylococcus aureus subsp. aureus Mu50
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0H3JPA5 (Residues: 27-668; Coverage: 96%)
Gene names: SAV0041, mecA
Sequence domains:
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand CD 8 x CD
Ligand CL 4 x CL
Ligand AI8 1 x AI8
Ligand 1W8 1 x 1W8
Ligand MUR 2 x MUR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS
Spacegroup: P212121
Unit cell:
a: 80.52Å b: 101.48Å c: 187.01Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.194 0.249
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

26 review citations

Methicillin-Resistant Staphylococcus aureus: Molecular Characterization, Evolution, and Epidemiology.
Lakhundi et al. (2018)
25 more

16 mentions without citation

Targeting Antibiotic Resistance.
Chellat et al. (2016)
15 more