› 5i6d

X-ray diffraction
1.64Å resolution

Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 5 [3-(3-(p-Tolyl)ureido) benzoic acid]

Released:
DOI: 10.2210/pdb5i6d/pdb
PDB entry 5i6d coloured by chain, front view.
PDB entry 5i6d coloured by chain, side view.
PDB entry 5i6d coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
Brunner K, Maric S, Reshma RS, Almqvist H, Seashore-Ludlow B, Gustavsson AL, Poyraz Ö, Yogeeswari P, Lundbäck T, Vallin M, Sriram D, Schnell R, Schneider G
J Med Chem 59 6848-59 (2016)
PMID: 27379713

Function and Biology Details

Reaction catalysed: 
O-phospho-L-serine + [CysO sulfur-carrier protein]-Gly-NH-CH(2)-C(O)SH = [CysO sulfur-carrier protein]-Gly-NH-CH(2)-C(O)-S-L-cysteine + phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161926 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
O-phosphoserine sulfhydrylase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 326 amino acids
Theoretical weight: 34.72 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WP53 (Residues: 1-323; Coverage: 100%)
Gene names: MTCY130.21, Rv1336, cysM
Sequence domains: Pyridoxal-phosphate dependent enzyme
Structure domains: Rossmann fold

Ligands and Environments


Cofactor: Ligand PLP 4 x PLP
2 bound ligands:
Ligand AU6 4 x AU6
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P1
Unit cell:
a: 64.552Å b: 76.373Å c: 80.865Å
α: 94.57° β: 108.24° γ: 107.65°
R-values:
R R work R free
0.165 0.163 0.186
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

8 review citations

Strategies to Overcome Antimicrobial Resistance (AMR) Making Use of Non-Essential Target Inhibitors: A Review.
Annunziato G. (2019)
7 more