3MTF
Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor
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, Serine/threonine-protein kinase receptor R1, SKR1, Activin receptor-like kinase 2, ALK-2, TGF-B superfamily receptor type I, TSR-I |
| 2 | C, D, E, F, R... (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 8 | Chemie (PO4) | |||
| 3 | AA, BA, G, H, I... (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 17 | Chemie (EDO) | |||
| 4 | CA, Q (B, A) | 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol | non-polymer | 352.4 | 2 | Chemie (A3F) | |||
| 5 | DA, EA (A, B) | water | water | 18.0 | 381 | 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 | 27 |
| Total formula weight | 2519.7 | |
| All* | Total formula weight | 71595.0 |
