5C84: Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 20

PDB ID: 5C84Download
MMDB ID: 131776
PDB Deposition Date: 2015/6/25
Updated in MMDB: 2018/11
Experimental Method:
x-ray diffraction
Resolution: 2.36  Å
Source Organism:
Similar Structures:
Biological Unit for 5C84: monomeric; determined by author and by software (PISA)
Molecular Components in 5C84
Label Count Molecule
Protein (1 molecule)
1
E3 Ubiquitin-protein Ligase Xiap
(Gene symbol: XIAP)
Molecule annotation
Chemicals and Non-standard biopolymers (2 molecules)
1
1
ZINC IONZINC ION
2
1
(2R,5R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium(2R,5R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium
* 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