6I1S
Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Activin receptor type-1 | polymer | 330 | 37398.7 | 1 | UniProt (Q04771) Pfam (PF08515) 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 | B (B) | Peptidyl-prolyl cis-trans isomerase FKBP1A | polymer | 109 | 12054.8 | 1 | UniProt (P62942) Pfam (PF00254) | Homo sapiens (Human) | PPIase FKBP1A,12 kDa FK506-binding protein,FKBP-12,Calstabin-1,FK506-binding protein 1A,FKBP-1A,Immunophilin FKBP12,Rotamase |
| 3 | C (A) | (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione | non-polymer | 389.4 | 1 | Chemie (E26) | |||
| 4 | D, E, G, H, I... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 7 | Chemie (EDO) | |||
| 5 | F, L (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 6 | M, N (A, B) | water | water | 18.0 | 237 | Chemie (HOH) |
Sequence modifications
A: 172 - 499 (UniProt: Q04771)
B: 1 - 108 (UniProt: P62942)
| PDB | External Database | Details |
|---|---|---|
| Ser 170 | - | expression tag |
| Met 171 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 49453.5 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1016.0 | |
| All* | Total formula weight | 50469.6 |
