5KGS: Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one

PDB ID: 5KGSDownload
MMDB ID: 151693
PDB Deposition Date: 2016/6/13
Updated in MMDB: 2019/12
Experimental Method:
x-ray diffraction
Resolution: 2.1  Å
Source Organism:
Similar Structures:
Biological Unit for 5KGS: dimeric; determined by author and by software (PISA)
Molecular Components in 5KGS
Label Count Molecule
Proteins (2 molecules)
2
Adenosylmethionine-8-amino-7-oxononanoate Aminotransferase
(Gene symbol: bioA)
Molecule annotation
Chemicals and Non-standard biopolymers (6 molecules)
1
2
PYRIDOXAL-5'-PHOSPHATEPYRIDOXAL-5'-PHOSPHATE
2
2
5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one
3
2
TRIETHYLENE GLYCOLTRIETHYLENE GLYCOL
* 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