7A21
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158
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, E (A, B) | 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine | non-polymer | 418.5 | 2 | Chemie (QWQ) | |||
| 3 | D, F (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 4 | G, H (B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 139 | 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 | 6 |
| Total formula weight | 1117.5 | |
| All* | Total formula weight | 70192.7 |
