› 6r1n

X-ray diffraction
2.03Å resolution

Crystal structure of S. aureus seryl-tRNA synthetase complexed to seryl sulfamoyl adenosine

Released:
DOI: 10.2210/pdb6r1n/pdb
PDB entry 6r1n coloured by chain, front view.
PDB entry 6r1n coloured by chain, side view.
PDB entry 6r1n coloured by chain, top view.
Source organism: Staphylococcus aureus
Primary publication:
Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase.
Cain R, Salimraj R, Punekar AS, Bellini D, Fishwick CWG, Czaplewski L, Scott DJ, Harris G, Dowson CG, Lloyd AJ, Roper DI
J Med Chem 62 9703-9717 (2019)
PMID: 31626547

Function and Biology Details

Reaction catalysed: 
ATP + L-serine + tRNA(Sec) = AMP + diphosphate + L-seryl-tRNA(Sec)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161174 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine--tRNA ligase Chain: A
Molecule details ›
Chain: A
Length: 449 amino acids
Theoretical weight: 51.17 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli
UniProt:
  • Canonical: P95689 (Residues: 1-428; Coverage: 100%)
Gene names: SAOUHSC_00009, serS
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand SSA 1 x SSA
Ligand EDO 4 x EDO
Ligand PEG 1 x PEG
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: C2221
Unit cell:
a: 94.438Å b: 116.413Å c: 91.611Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.175 0.173 0.221
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Aminoacyl-tRNA Synthetases as Valuable Targets for Antimicrobial Drug Discovery.
Pang et al. (2021)
1 more