› 7m7v

X-ray diffraction
2.29Å resolution

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-125183 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Polyketide synthase Pks13 Chains: A, B
Molecule details ›
Chains: A, B
Length: 286 amino acids
Theoretical weight: 31.78 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: I6X8D2 (Residues: 1451-1733; Coverage: 16%)
Gene names: Rv3800c, pks13
Sequence domains: Thioesterase domain

Ligands and Environments

1 bound ligand:
Ligand Z3J 2 x Z3J
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P21212
Unit cell:
a: 89.97Å b: 110.28Å c: 57.63Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.225 0.223 0.269
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Oxetanes in Drug Discovery Campaigns.
Rojas et al. (2023)
3 other articles

2 mentions without citation

Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target.
Wilson et al. (2022)
1 more