11GY
Crystal structure of selective inhibitor 16 bound at the active site of CDK1
This is a non-PDB format compatible entry.
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 1 | polymer | 316 | 36435.8 | 1 | UniProt (P06493) | Homo sapiens (human) | CDK1,Cell division control protein 2 homolog,Cell division protein kinase 1,p34 protein kinase |
| 2 | B (B) | G2/mitotic-specific cyclin-B1 | polymer | 273 | 31369.7 | 1 | UniProt (P14635) | Homo sapiens (human) | |
| 3 | C (C) | Cyclin-dependent kinases regulatory subunit 2 | polymer | 80 | 9892.3 | 1 | UniProt (P33552) | Homo sapiens (human) | CKS-2 |
| 4 | D (A) | (1R,3S)-3-{3-[(1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl bicyclo[1.1.1]pentan-1-ylcarbamate | non-polymer | 384.4 | 1 | Chemie (A1DEQ) | |||
| 5 | E (A) | (6S,9R,13S)-6,9-dimethyl-2,5,8,11-tetraoxatetradecan-13-amine | non-polymer | 249.3 | 1 | Chemie (A1DJL) | |||
| 6 | F, I (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) PubChem (753) | |||
| 7 | G, H, L, M, N... (A, B, C) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 8 | J (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) PubChem (679) | |||
| 9 | K (B) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 1 | Chemie (EPE) PubChem (23831) | |||
| 10 | P, Q, R (A, B, C) | water | water | 18.0 | 276 | Chemie (HOH) |
Sequence modifications
A: 1 - 297 (UniProt: P06493)
B: 164 - 432 (UniProt: P14635)
C: 2 - 79 (UniProt: P33552)
| PDB | External Database | Details |
|---|---|---|
| Met -18 | - | initiating methionine |
| His -17 | - | expression tag |
| His -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| Gly -11 | - | expression tag |
| Glu -10 | - | expression tag |
| Asn -9 | - | expression tag |
| Leu -8 | - | expression tag |
| Tyr -7 | - | expression tag |
| Phe -6 | - | expression tag |
| Gln -5 | - | expression tag |
| Gly -4 | - | expression tag |
| Ser -3 | - | expression tag |
| Leu -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 160 | - | expression tag |
| Ser 161 | - | expression tag |
| His 162 | - | expression tag |
| Met 163 | - | expression tag |
| Ser 166 | Cys 167 | conflict |
| Ser 237 | Cys 238 | conflict |
| Ser 349 | Cys 350 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Ser 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 77697.8 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1710.8 | |
| All* | Total formula weight | 79408.6 |
