6CMM
Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine 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, C, D (A, B, C, D) | Serine/threonine-protein kinase VRK1 | polymer | 364 | 41138.1 | 4 | UniProt (Q99986) Pfam (PF00069) | Homo sapiens (Human) | Vaccinia-related kinase 1 |
| 2 | E, F, K, L, M... (A, B, C, D) | ACETATE ION | non-polymer | 59.0 | 8 | Chemie (ACT) | |||
| 3 | G, Q (B, D) | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one | non-polymer | 383.4 | 2 | Chemie (F7D) | |||
| 4 | H, I, N, R, S... (B, C, D) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 5 | J (B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 6 | V, W, X, Y (A, B, C, D) | water | water | 18.0 | 474 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 3 - 364 (UniProt: Q99986)
| PDB | External Database | Details |
|---|---|---|
| Ser 1 | - | expression tag |
| Met 2 | - | expression tag |
| Ala 34 | Lys 34 | engineered mutation |
| Ala 35 | Lys 35 | engineered mutation |
| Ala 36 | Glu 36 | engineered mutation |
| Ala 212 | Glu 212 | engineered mutation |
| Ala 214 | Lys 214 | engineered mutation |
| Ala 215 | Glu 215 | engineered mutation |
| Ala 292 | Glu 292 | engineered mutation |
| Ala 293 | Lys 293 | engineered mutation |
| Ala 295 | Lys 295 | engineered mutation |
| Ala 359 | Lys 359 | engineered mutation |
| Ala 360 | Lys 360 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 164552.5 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 1921.6 | |
| All* | Total formula weight | 166474.1 |
