6T8N
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007
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 I | polymer | 301 | 34537.6 | 2 | UniProt (Q04771) Pfam (PF00069) | Homo sapiens | |
| 2 | C (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 3 | D, G, J, K (A, B) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 4 | E (A) | L(+)-TARTARIC ACID | non-polymer | 150.1 | 1 | Chemie (TLA) | |||
| 5 | F, L (A, B) | cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone | non-polymer | 516.7 | 2 | Chemie (MVE) | |||
| 6 | H, I (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 7 | M, N (A, B) | water | water | 18.0 | 157 | 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 | 10 |
| Total formula weight | 1786.0 | |
| All* | Total formula weight | 70861.3 |
