› 5m1a

X-ray diffraction
2Å resolution

Crystal structure of PBP2a from MRSA in the presence of Ceftazidime ligand

Released:
DOI: 10.2210/pdb5m1a/pdb
PDB entry 5m1a coloured by chain, front view.
PDB entry 5m1a coloured by chain, side view.
PDB entry 5m1a coloured by chain, top view.
Source organism: Staphylococcus aureus
Primary publication:
Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
Mahasenan KV, Molina R, Bouley R, Batuecas MT, Fisher JF, Hermoso JA, Chang M, Mobashery S
J Am Chem Soc 139 2102-2110 (2017)
PMID: 28099001

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-181497 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pencillin binding protein 2a (PBP 2a) Chains: A, B
Molecule details ›
Chains: A, B
Length: 642 amino acids
Theoretical weight: 73.29 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q7DHH4 (Residues: 27-668; Coverage: 96%)
Gene names: EP54_07775, EQ90_14470, M1K003_1411, ORF35, R114_07, R15_11, R17_11, R92_07, R95_11, R99_11, mecA
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand CD 6 x CD
Ligand MUR 2 x MUR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALBA BEAMLINE XALOC
Spacegroup: P212121
Unit cell:
a: 80.739Å b: 101.914Å c: 186.452Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.202 0.238
Expression system: Escherichia coli BL21(DE3)

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Citations

5 review citations

Recent advances in antibacterial applications of metal nanoparticles (MNPs) and metal nanocomposites (MNCs) against multidrug-resistant (MDR) bacteria.
Alavi et al. (2019)
4 more

3 mentions without citation

PDBe: towards reusable data delivery infrastructure at protein data bank in Europe.
Mir et al. (2018)
2 more