7C3G
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Activin receptor type-1 | polymer | 301 | 34531.6 | 2 | UniProt (Q04771) Pfam (PF00069) | 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 | C, O (A, B) | ~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine | non-polymer | 468.6 | 2 | Chemie (FH0) | |||
| 3 | D, G, H, I, J... (A, B) | SULFATE ION | non-polymer | 96.1 | 17 | Chemie (SO4) | |||
| 4 | E, F, Q, R (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 5 | AA, Z (B, A) | water | water | 18.0 | 469 | Chemie (HOH) |
Sequence modifications
A, B: 201 - 499 (UniProt: Q04771)
| PDB | External Database | Details |
|---|---|---|
| Ser 199 | - | expression tag |
| Met 200 | - | expression tag |
| His 206 | Arg 206 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 69063.3 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 2818.5 | |
| All* | Total formula weight | 71881.7 |
