6BU6
Crystal Structure of the Human vaccinia-related kinase bound to a bis-difluorophenol-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, 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, I, P (A, B, D) | 4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol) | non-polymer | 350.3 | 3 | Chemie (E8V) | |||
| 3 | F (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | G, H, K, L, O... (A, B, C, D) | CHLORIDE ION | non-polymer | 35.5 | 6 | Chemie (CL) | |||
| 5 | J, M, N, Q, R (B, C, D) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 6 | T, U, V, W (A, B, C, D) | water | water | 18.0 | 1169 | 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 | 15 |
| Total formula weight | 1835.9 | |
| All* | Total formula weight | 166388.4 |
