5M6M
Small Molecule inhibitors of IAP
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | E3 ubiquitin-protein ligase XIAP | polymer | 127 | 14575.3 | 1 | UniProt (P98170) Pfam (PF00653) In PDB | 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 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
3 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
4 | A | 1-[[(2~{R},5~{R})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one | non-polymer | 476.6 | 1 | Chemie (7H8) | |||
5 | water | water | 18.0 | 190 | Chemie (HOH) |
Sequence modifications
A: 249 - 354 (UniProt: P98170)
PDB | External Database | Details |
---|---|---|
Met 228 | - | initiating methionine |
Gly 229 | - | expression tag |
Ser 230 | - | expression tag |
Ser 231 | - | expression tag |
His 232 | - | expression tag |
His 233 | - | expression tag |
His 234 | - | expression tag |
His 235 | - | expression tag |
His 236 | - | expression tag |
His 237 | - | expression tag |
Ser 238 | - | expression tag |
Ser 239 | - | expression tag |
Gly 240 | - | expression tag |
Leu 241 | - | expression tag |
Val 242 | - | expression tag |
Pro 243 | - | expression tag |
Arg 244 | - | expression tag |
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 | 14575.3 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 565.0 | |
All* | Total formula weight | 15140.3 |