6GIN
Crystal structure of the ACVR1 (ALK2) kinase in complex with an Quinazolinone based ALK2 inhibitor with a 4-morpholinophenyl solvent accessible group.
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 | 34537.6 | 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, J (A, B) | 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one | non-polymer | 434.5 | 2 | Chemie (IR2) | |||
| 3 | D, E, F, K, L... (A, B) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 4 | G, H, I, N (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 5 | O, P (A, B) | water | water | 18.0 | 347 | Chemie (HOH) |
Sequence modifications
A, B: 201 - 499 (UniProt: Q04771)
| PDB | External Database | Details |
|---|---|---|
| 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 | 2 |
| Total formula weight | 69075.3 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1693.6 | |
| All* | Total formula weight | 70768.9 |
