› 4tqx

X-ray diffraction
1.37Å resolution

Molecular Basis of Streptococcus mutans Sortase A Inhibition by Chalcone.

Released:
DOI: 10.2210/pdb4tqx/pdb
PDB entry 4tqx coloured by chain, front view.
PDB entry 4tqx coloured by chain, side view.
PDB entry 4tqx coloured by chain, top view.
Source organism: Streptococcus mutans
Primary publication:
Molecular basis of Streptococcus mutans sortase A inhibition by the flavonoid natural product trans-chalcone.
Wallock-Richards DJ, Marles-Wright J, Clarke DJ, Maitra A, Dodds M, Hanley B, Campopiano DJ
Chem Commun (Camb) 51 10483-5 (2015)
PMID: 26029850

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184000 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sortase A Chain: A
Molecule details ›
Chain: A
Length: 206 amino acids
Theoretical weight: 22.74 KDa
Source organism: Streptococcus mutans
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8CM62 (Residues: 41-246; Coverage: 84%)
Gene name: srtA
Sequence domains: Sortase domain

Ligands and Environments

3 bound ligands:
Ligand PG4 1 x PG4
Ligand ACY 1 x ACY
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P42212
Unit cell:
a: 82.822Å b: 82.822Å c: 57.87Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.147 0.145 0.179
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Antibiofilm Activity of Plant Polyphenols.
Slobodníková et al. (2016)
4 more

9 mentions without citation

Sortase Transpeptidases: Structural Biology and Catalytic Mechanism.
Jacobitz et al. (2017)
8 more