5C0L
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 2
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) | 4-(4-bromo-1H-pyrazol-1-yl)piperidinium | non-polymer | 231.1 | 1 | Chemie (4WJ) | |||
| 4 | D (A) | water | water | 18.0 | 56 | Chemie (HOH) |
Sequence modifications
A: 245 - 354 (UniProt: P98170)
| PDB | External Database | Details |
|---|---|---|
| Gly 245 | Ser 245 | conflict |
| His 247 | Asp 247 | conflict |
| Met 248 | Arg 248 | conflict |
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 | 296.5 | |
| All* | Total formula weight | 12982.7 |
