3CLX
Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac005
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | D, A, B, C | Baculoviral IAP repeat-containing protein 4 | polymer | 130 | 14675.3 | 4 | UniProt (P98170) Pfam (PF00653) In PDB | Homo sapiens (Human) | E3 ubiquitin-protein ligase XIAP, Inhibitor of apoptosis protein 3, X- linked inhibitor of apoptosis protein, X-linked IAP, IAP-like protein, HILP |
| 2 | D, A, B, C | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | D, A, B, C | (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide | non-polymer | 492.6 | 6 | Chemie (X22) | |||
| 4 | water | water | 18.0 | 46 | Chemie (HOH) |
Sequence modifications
D, A, B, C: 241 - 356 (UniProt: P98170)
| PDB | External Database | Details |
|---|---|---|
| Met 227 | - | expression tag |
| Ala 228 | - | expression tag |
| Ser 229 | - | expression tag |
| Met 230 | - | expression tag |
| Thr 231 | - | expression tag |
| Gly 232 | - | expression tag |
| Gly 233 | - | expression tag |
| Gln 234 | - | expression tag |
| Gln 235 | - | expression tag |
| Met 236 | - | expression tag |
| Gly 237 | - | expression tag |
| Arg 238 | - | expression tag |
| Gly 239 | - | expression tag |
| Ser 240 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 58701.4 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 3217.3 | |
| All* | Total formula weight | 61918.7 |
