8SV9
Crystal structure of ULK1 kinase domain with inhibitor MR-2088
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) | Serine/threonine-protein kinase ULK1 | polymer | 283 | 32142.0 | 2 | UniProt (O75385) Pfam (PF00069) | Homo sapiens (human) | Autophagy-related protein 1 homolog,ATG1,hATG1,Unc-51-like kinase 1 |
| 2 | C, G (A, B) | (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide | non-polymer | 406.4 | 2 | Chemie (WXH) | |||
| 3 | D, E, F, H, I... (A, B) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 4 | K (B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 5 | L, M (A, B) | water | water | 18.0 | 128 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 283 (UniProt: O75385)
| PDB | External Database | Details |
|---|---|---|
| Ala 37 | Glu 37 | engineered mutation |
| Ala 38 | Lys 38 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 64284.0 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1451.3 | |
| All* | Total formula weight | 65735.3 |
