5U7R
Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Rho-associated protein kinase 2 | polymer | 395 | 45416.6 | 4 | UniProt (O75116) Pfam (PF00069) | Homo sapiens (Human) | Rho kinase 2,Rho-associated,coiled-coil-containing protein kinase 2,coiled-coil-containing protein kinase II,ROCK-II,p164 ROCK-2 |
| 2 | E, F, G, H (A, B, C, D) | (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one | non-polymer | 412.5 | 4 | Chemie (81G) | |||
| 3 | I, J, K, L (A, B, C, D) | water | water | 18.0 | 40 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 23 - 417 (UniProt: O75116)
| PDB | External Database | Details |
|---|---|---|
| Tyr 270 | Phe 270 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 181666.6 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1649.9 | |
| All* | Total formula weight | 183316.5 |
