8Q17: Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity

PDB ID: 8Q17Download
MMDB ID: 238833
PDB Deposition Date: 2023/7/30
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 1.71  Å
Source Organism:
Similar Structures:
Biological Unit for 8Q17: monomeric; determined by author
Molecular Components in 8Q17
Label Count Molecule
Protein (1 molecule)
1
Polyketide Synthase Pks13
(Gene symbol: pks13)
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
3
SULFATE IONSULFATE ION
2
1
~{N}-[2-[4-(azetidin-1-ylcarbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide~{N}-[2-[4-(azetidin-1-ylcarbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
3
1
GLYCEROLGLYCEROL
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303