4KJV
Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, C) | E3 ubiquitin-protein ligase XIAP | polymer | 86 | 9936.1 | 2 | UniProt (P98170) Pfam (PF00653) | Homo sapiens (human) | Baculoviral IAP repeat-containing protein 4, IAP-like protein, ILP, hILP, Inhibitor of apoptosis protein 3, IAP-3, hIAP-3, hIAP3, X-linked inhibitor of apoptosis protein, X-linked IAP |
| 2 | C, E (A, C) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D (A) | 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid | non-polymer | 547.6 | 1 | Chemie (1RK) | |||
| 4 | F, G (A, C) | water | water | 18.0 | 100 | Chemie (HOH) |
Sequence modifications
A, C: 152 - 236 (UniProt: P98170)
| PDB | External Database | Details |
|---|---|---|
| Gly 151 | - | expression tag |
| Ala 202 | Cys 202 | engineered mutation |
| Gly 213 | Cys 213 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 19872.3 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 678.4 | |
| All* | Total formula weight | 20550.7 |
