3CM2
Crystal Structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac010
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E... (D, A, B, C, E...) | Baculoviral IAP repeat-containing protein 4 | polymer | 130 | 14675.3 | 10 | UniProt (P98170) Pfam (PF00653) | 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 | AA, CA, K, M, O... (I, J, D, A, B...) | ZINC ION | non-polymer | 65.4 | 10 | Chemie (ZN) | |||
| 3 | BA, DA, L, N, P... (I, J, D, A, B...) | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(aminomethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide | non-polymer | 491.6 | 10 | Chemie (X23) PubChem (25011738) PubChem (71014995) PubChem (74388548) PubChem (143802284) | |||
| 4 | EA, FA, GA, HA, IA... (D, A, B, C, E...) | water | water | 18.0 | 238 | Chemie (HOH) |
Sequence modifications
D, A, B, C, E, F, G, H, I, J: 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 | 10 |
| Total formula weight | 146753.4 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 5570.3 | |
| All* | Total formula weight | 152323.7 |
