8UWR
Crystal structure of human ACVR1 (ALK2) kinase in complex with compound 3
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Activin receptor type-1 | polymer | 323 | 37066.3 | 1 | UniProt (Q04771) Pfam (PF07714) | Homo sapiens (human) | Activin receptor type I,ACTR-I,Activin receptor-like kinase 2,ALK-2,Serine/threonine-protein kinase receptor R1,SKR1,TGF-B superfamily receptor type I,TSR-I |
| 2 | B, C, D, E, F... (A) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 3 | H (A) | cyclopropyl(4-{(8R)-6-[4-(piperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl}piperazin-1-yl)methanone | non-polymer | 430.5 | 1 | Chemie (XQX) | |||
| 4 | I (A) | water | water | 18.0 | 163 | Chemie (HOH) |
Sequence modifications
A: 201 - 499 (UniProt: Q04771)
| PDB | External Database | Details |
|---|---|---|
| Met 177 | - | initiating methionine |
| Gly 178 | - | expression tag |
| His 179 | - | expression tag |
| His 180 | - | expression tag |
| His 181 | - | expression tag |
| His 182 | - | expression tag |
| His 183 | - | expression tag |
| His 184 | - | expression tag |
| Ser 185 | - | expression tag |
| Ser 186 | - | expression tag |
| Gly 187 | - | expression tag |
| Val 188 | - | expression tag |
| Asp 189 | - | expression tag |
| Leu 190 | - | expression tag |
| Gly 191 | - | expression tag |
| Thr 192 | - | expression tag |
| Glu 193 | - | expression tag |
| Asn 194 | - | expression tag |
| Leu 195 | - | expression tag |
| Tyr 196 | - | expression tag |
| Phe 197 | - | expression tag |
| Gln 198 | - | expression tag |
| Ser 199 | - | expression tag |
| Met 200 | - | expression tag |
| Asp 207 | Gln 207 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37066.3 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1006.9 | |
| All* | Total formula weight | 38073.3 |
