5C83
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | E3 ubiquitin-protein ligase XIAP | polymer | 110 | 12686.2 | 1 | UniProt (P98170) Pfam (PF00653) | 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 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C (A) | (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium | non-polymer | 423.6 | 1 | Chemie (4YN) | |||
| 4 | D (A) | water | water | 18.0 | 143 | 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 | 489.0 | |
| All* | Total formula weight | 13175.2 |
