4F6U
Crystal structure of human CDK8/CYCC in complex with compound 5 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Cyclin-dependent kinase 8 | polymer | 405 | 46990.8 | 1 | UniProt (P49336) Pfam (PF00069) | Homo sapiens (human) | Cell division protein kinase 8, Mediator complex subunit CDK8, Mediator of RNA polymerase II transcription subunit CDK8, Protein kinase K35 |
| 2 | B (B) | Cyclin-C | polymer | 287 | 33710.1 | 1 | UniProt (P24863) Pfam (PF00134) Pfam (PF16899) | Homo sapiens (human) | SRB11 homolog, hSRB11 |
| 3 | C (A) | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea | non-polymer | 399.5 | 1 | Chemie (0SR) | |||
| 4 | D (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 5 | E (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 6 | F, G, H, I, J... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 10 | Chemie (EDO) | |||
| 7 | L, M, R, S, T... (A, B) | FORMIC ACID | non-polymer | 46.0 | 6 | Chemie (FMT) | |||
| 8 | V, W (A, B) | water | water | 18.0 | 309 | Chemie (HOH) |
Sequence modifications
A: 1 - 403 (UniProt: P49336)
B: 1 - 283 (UniProt: P24863)
| PDB | External Database | Details |
|---|---|---|
| Asp -1 | - | expression tag |
| Lys 0 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Asp -3 | - | expression tag |
| Asp -2 | - | expression tag |
| Lys -1 | - | expression tag |
| Ala 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 80700.9 | |
| Non-Polymers* | Number of molecules | 19 |
| Total formula weight | 1397.5 | |
| All* | Total formula weight | 82098.4 |
