5M6N
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, B | Baculoviral IAP repeat-containing protein 2 | polymer | 118 | 13666.4 | 2 | UniProt (Q13490) Pfam (PF00653) In PDB | Homo sapiens (Human) | Cellular inhibitor of apoptosis 1,C-IAP1,IAP homolog B,Inhibitor of apoptosis protein 2,hIAP2,RING finger protein 48,TNFR2-TRAF-signaling complex protein 2 |
2 | A, B | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
3 | A, B | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
4 | A, B | 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone | non-polymer | 510.7 | 2 | Chemie (7H9) | |||
5 | water | water | 18.0 | 349 | Chemie (HOH) |
Sequence modifications
A, B: 260 - 357 (UniProt: Q13490)
PDB | External Database | Details |
---|---|---|
Met 240 | - | initiating methionine |
Gly 241 | - | expression tag |
Ser 242 | - | expression tag |
Ser 243 | - | expression tag |
His 244 | - | expression tag |
His 245 | - | expression tag |
His 246 | - | expression tag |
His 247 | - | expression tag |
His 248 | - | expression tag |
His 249 | - | expression tag |
Ser 250 | - | expression tag |
Ser 251 | - | expression tag |
Gly 252 | - | expression tag |
Leu 253 | - | expression tag |
Val 254 | - | expression tag |
Pro 255 | - | expression tag |
Arg 256 | - | expression tag |
Gly 257 | - | expression tag |
Ser 258 | - | expression tag |
His 259 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 27332.8 | |
Non-Polymers* | Number of molecules | 9 |
Total formula weight | 1632.5 | |
All* | Total formula weight | 28965.3 |