7AJR: Virtual screening approach leading to the identification of a novel and tractable series of Pseudomonas aeruginosa elastase inhibitors

PDB ID: 7AJRDownload
MMDB ID: 198586
PDB Deposition Date: 2020/9/29
Updated in MMDB: 2024/10
Experimental Method:
x-ray diffraction
Resolution: 1.75  Å
Source Organism:
Similar Structures:
Biological Unit for 7AJR: monomeric; determined by software (PISA)
Molecular Components in 7AJR
Label Count Molecule
Protein (1 molecule)
1
Keratinase KP2
Molecule annotation
Chemicals and Non-standard biopolymers (3 molecules)
1
1
2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid
2
1
ZINC IONZINC ION
3
1
SULFATE IONSULFATE ION
* 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