6W8I
Ternary complex structure - BTK cIAP compound 15
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 (A, B, C) | Tyrosine-protein kinase BTK | polymer | 277 | 32112.8 | 3 | UniProt (Q06187) Pfam (PF07714) | Homo sapiens (Human) | Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase |
| 2 | D, E, F (D, E, F) | Baculoviral IAP repeat-containing protein 2 | polymer | 99 | 11318.7 | 3 | UniProt (Q13490) Pfam (PF00653) | Homo sapiens (Human) | Cellular inhibitor of apoptosis 1,C-IAP1,IAP homolog B,Inhibitor of apoptosis protein 2,hIAP2,RING finger protein 48,RING-type E3 ubiquitin transferase BIRC2,TNFR2-TRAF-signaling complex protein 2 |
| 3 | G, I, K (C, D, E) | 14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate | non-polymer | 1180.3 | 3 | Chemie (TKY) | |||
| 4 | H, J, L (D, E, F) | ZINC ION | non-polymer | 65.4 | 3 | Chemie (ZN) |
Sequence modifications
A, B, C: 384 - 659 (UniProt: Q06187)
D, E, F: 260 - 352 (UniProt: Q13490)
| PDB | External Database | Details |
|---|---|---|
| Ser 383 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 254 | - | expression tag |
| Ser 255 | - | expression tag |
| Gly 256 | - | expression tag |
| Pro 257 | - | expression tag |
| Gly 258 | - | expression tag |
| Ser 259 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 130294.6 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 3737.2 | |
| All* | Total formula weight | 134031.9 |
