5C7D
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 17
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | E3 ubiquitin-protein ligase XIAP | polymer | 110 | 12686.2 | 1 | UniProt (P98170) Pfam (PF00653) In PDB | Homo sapiens (Human) | Baculoviral IAP repeat-containing protein 4,IAP-like protein,hILP,Inhibitor of apoptosis protein 3,hIAP3,X-linked inhibitor of apoptosis protein,X-linked IAP |
2 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
3 | A | (2R)-4-[2-(6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium | non-polymer | 295.8 | 1 | Chemie (4YF) | |||
4 | water | water | 18.0 | 171 | Chemie (HOH) |
Sequence modifications
A: 249 - 354 (UniProt: P98170)
PDB | External Database | Details |
---|---|---|
Gly 245 | - | expression tag |
Ser 246 | - | expression tag |
His 247 | - | expression tag |
Met 248 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 12686.2 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 361.2 | |
All* | Total formula weight | 13047.4 |