4AU8
Crystal structure of compound 4a in complex with cdk5, showing an unusual binding mode to the hinge region via a water molecule
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | CYCLIN-DEPENDENT KINASE 5 | polymer | 296 | 33622.7 | 2 | UniProt (Q00535) Pfam (PF00069) | HOMO SAPIENS (HUMAN) | CELL DIVISION PROTEIN KINASE 5, SERINE/THREONINE-PROTEIN KINASE PSSALRE, TAU PROTEIN KINASE II CATALYTIC SUBUNIT, TPKII CATALYTIC SUBUNIT |
| 2 | C, D, E, G, H... (A, B) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 3 | F, J (A, B) | 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide | non-polymer | 296.4 | 2 | Chemie (Z3R) | |||
| 4 | K (B) | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 5 | L, M (A, B) | water | water | 18.0 | 474 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 292 (UniProt: Q00535)
| PDB | External Database | Details |
|---|---|---|
| Gly -3 | - | expression tag |
| Ala -2 | - | expression tag |
| Met -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Ser 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67245.4 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1238.2 | |
| All* | Total formula weight | 68483.7 |
