8P5I
Kinase domain of mutant human ULK1 in complex with compound XMD-17-51
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Serine/threonine-protein kinase ULK1 | polymer | 284 | 32121.1 | 4 | UniProt (O75385) Pfam (PF00069) | Homo sapiens (human) | Autophagy-related protein 1 homolog,ATG1,hATG1,Unc-51-like kinase 1 |
| 2 | E, I, N, R (A, B, C, D) | 5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one | non-polymer | 404.5 | 4 | Chemie (WYX) | |||
| 3 | F, G, K, L, P... (A, B, C, D) | MAGNESIUM ION | non-polymer | 24.3 | 8 | Chemie (MG) | |||
| 4 | H, M, U (A, B, D) | SODIUM ION | non-polymer | 23.0 | 3 | Chemie (NA) | |||
| 5 | J, O (B, C) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 6 | V, W, X, Y (A, B, C, D) | water | water | 18.0 | 959 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 283 (UniProt: O75385)
| PDB | External Database | Details |
|---|---|---|
| Ser 0 | - | expression tag |
| Ala 245 | Arg 245 | engineered mutation |
| Ala 246 | Glu 246 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 128484.4 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 2065.5 | |
| All* | Total formula weight | 130549.9 |
