› 3zei

X-ray diffraction
2Å resolution

Structure of the Mycobacterium tuberculosis O-Acetylserine Sulfhydrylase (OASS) CysK1 in complex with a small molecule inhibitor

Released:
DOI: 10.2210/pdb3zei/pdb
PDB entry 3zei coloured by chain, front view.
PDB entry 3zei coloured by chain, side view.
PDB entry 3zei coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Structure-guided design of novel thiazolidine inhibitors of O-acetyl serine sulfhydrylase from Mycobacterium tuberculosis.
Poyraz O, Jeankumar VU, Saxena S, Schnell R, Haraldsson M, Yogeeswari P, Sriram D, Schneider G
J Med Chem 56 6457-66 (2013)
PMID: 23879381

Function and Biology Details

Reaction catalysed: 
O-acetyl-L-serine + hydrogen sulfide = L-cysteine + acetate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161927 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
O-acetylserine sulfhydrylase Chain: A
Molecule details ›
Chain: A
Length: 310 amino acids
Theoretical weight: 32.79 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WP55 (Residues: 1-310; Coverage: 100%)
Gene names: MTCY98.03, Rv2334, cysK, cysK1
Sequence domains: Pyridoxal-phosphate dependent enzyme
Structure domains: Rossmann fold

Ligands and Environments


Cofactor: Ligand PLP 1 x PLP
2 bound ligands:
Ligand AWH 1 x AWH
Ligand MPD 2 x MPD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P41212
Unit cell:
a: 71.82Å b: 71.82Å c: 179.63Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.202 0.235
Expression system: Escherichia coli

Quick links

Citations

4 review citations

5-Ene-4-thiazolidinones - An efficient tool in medicinal chemistry.
Kaminskyy et al. (2017)
3 more

2 mentions without citation

Insights into multifaceted activities of CysK for therapeutic interventions.
Joshi et al. (2019)
1 more