5UKF
Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole 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 | Serine/threonine-protein kinase VRK1 | polymer | 363 | 41051.0 | 4 | UniProt (Q99986) Pfam (PF00069) In PDB | Homo sapiens (Human) | Vaccinia-related kinase 1 |
| 2 | A, B, C, D | 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide | non-polymer | 372.4 | 4 | Chemie (8E1) | |||
| 3 | A, B, C | PHOSPHATE ION | non-polymer | 95.0 | 7 | Chemie (PO4) | |||
| 4 | A, B, C, D | CHLORIDE ION | non-polymer | 35.5 | 7 | Chemie (CL) | |||
| 5 | D | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 6 | water | water | 18.0 | 551 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 3 - 364 (UniProt: Q99986)
| PDB | External Database | Details |
|---|---|---|
| Met 2 | - | initiating methionine |
| 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 | 164204.2 | |
| Non-Polymers* | Number of molecules | 19 |
| Total formula weight | 2508.8 | |
| All* | Total formula weight | 166713.0 |
