9GLA
Crystal structure of a CDK2-based CDK7 mimic with inhibitor SY5609
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 | 34023.3 | 1 | UniProt (P24941) Pfam (PF00069) | Homo sapiens (human) | Cell division protein kinase 2,p33 protein kinase |
| 2 | B (B) | Cyclin-A2 | polymer | 258 | 29624.3 | 1 | UniProt (P20248) Pfam (PF00134) Pfam (PF02984) | Homo sapiens (human) | Cyclin-A,Cyclin A |
| 3 | C (A) | 7-dimethylphosphoryl-3-[2-[[(3~{S})-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1~{H}-indole-6-carbonitrile | non-polymer | 490.5 | 1 | Chemie (YNK) | |||
| 4 | D (B) | MONOTHIOGLYCEROL | non-polymer | 108.2 | 1 | Chemie (SGM) | |||
| 5 | E, F (B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 6 | G, H (A, B) | water | water | 18.0 | 105 | Chemie (HOH) |
Sequence modifications
A: 1 - 298 (UniProt: P24941)
| PDB | External Database | Details |
|---|---|---|
| Asp 8 | Glu 8 | engineered mutation |
| Phe 9 | Lys 9 | engineered mutation |
| Leu 10 | Ile 10 | engineered mutation |
| Gln 14 | Thr 14 | engineered mutation |
| Phe 15 | Tyr 15 | engineered mutation |
| Ile 64 | Val 64 | engineered mutation |
| Met 83 | Leu 83 | engineered mutation |
| Glu 84 | His 84 | engineered mutation |
| Thr 85 | Gln 85 | engineered mutation |
| Glu 88 | Lys 88 | engineered mutation |
| Val 89 | Lys 89 | engineered mutation |
| Asn 131 | Gln 131 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 63647.6 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 644.6 | |
| All* | Total formula weight | 64292.2 |
