› 4f1z

X-ray diffraction
2.3Å resolution

Crystal structures reveal the multi-ligand binding mechanism of the Staphylococcus aureus ClfB

Released:
DOI: 10.2210/pdb4f1z/pdb
PDB entry 4f1z coloured by chain, front view.
PDB entry 4f1z coloured by chain, side view.
PDB entry 4f1z coloured by chain, top view.
Source organisms:
Primary publication:
Crystal structures reveal the multi-ligand binding mechanism of Staphylococcus aureus ClfB.
Xiang H, Feng Y, Wang J, Liu B, Chen Y, Liu L, Deng X, Yang M
PLoS Pathog 8 e1002751 (2012)
PMID: 22719251

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146682 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Clumping factor B Chain: A
Molecule details ›
Chain: A
Length: 363 amino acids
Theoretical weight: 39.88 KDa
Source organism: Staphylococcus aureus subsp. aureus MRSA252
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6GDH2 (Residues: 197-542; Coverage: 42%)
Gene names: SAR2709, clfB
Sequence domains:
Structure domains:
Keratin, type I cytoskeletal 10 Chain: Q
Molecule details ›
Chain: Q
Length: 14 amino acids
Theoretical weight: 1.04 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P13645 (Residues: 499-512; Coverage: 2%)
Gene names: KPP, KRT10

Ligands and Environments

1 bound ligand:
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P3121
Unit cell:
a: 70.331Å b: 70.331Å c: 177.157Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.248 0.248 0.251
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

9 review citations

Adhesion, invasion and evasion: the many functions of the surface proteins of Staphylococcus aureus.
Foster et al. (2014)
8 more

5 mentions without citation

Benchmarking of different molecular docking methods for protein-peptide docking.
Agrawal et al. (2019)
4 more