11GV
Crystal structure of selective inhibitor 16 bound at the active site of CDK2
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 2 | polymer | 298 | 34056.5 | 1 | UniProt (P24941) Pfam (PF00069) | Homo sapiens (human) | Cell division protein kinase 2,p33 protein kinase |
| 2 | B (B) | Cyclin-A2 | polymer | 260 | 29884.6 | 1 | UniProt (P20248) Pfam (PF00134) Pfam (PF02984) | Homo sapiens (human) | Cyclin-A,Cyclin A |
| 3 | C, N, T (A) | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) PubChem (888) | |||
| 4 | AA, BA, CA, D, E... (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 19 | Chemie (EDO) | |||
| 5 | G, H, HA, O (A, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) PubChem (312) | |||
| 6 | DA, I, J (B, A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) PubChem (679) | |||
| 7 | R, S (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 | 2 | Chemie (A1DEQ) | |||
| 8 | EA (B) | ISOPROPYL ALCOHOL | non-polymer | 60.1 | 1 | Chemie (IPA) PubChem (3776) | |||
| 9 | IA, JA (A, B) | water | water | 18.0 | 666 | Chemie (HOH) |
Sequence modifications
B: 174 - 432 (UniProt: P20248)
| PDB | External Database | Details |
|---|---|---|
| Met 173 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 63941.1 | |
| Non-Polymers* | Number of molecules | 32 |
| Total formula weight | 2457.4 | |
| All* | Total formula weight | 66398.5 |
