3OW4
Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors
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) | RAC-alpha serine/threonine-protein kinase | polymer | 341 | 39467.0 | 2 | UniProt (P31749) Pfam (PF00069) Pfam (PF00433) | Homo sapiens (human) | RAC-PK-alpha, Protein kinase B, PKB, Proto-oncogene c-Akt |
| 2 | C, D (C, D) | GSK 3 beta peptide | polymer | 10 | 1123.2 | 2 | UniProt (by SIFTS) (P49841) | ||
| 3 | E, F (A, B) | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine | non-polymer | 422.5 | 2 | Chemie (SMY) | |||
| 4 | G, H, I, J (A, B, C, D) | water | water | 18.0 | 171 | Chemie (HOH) |
Sequence modifications
A, B: 144 - 480 (UniProt: P31749)
| PDB | External Database | Details |
|---|---|---|
| Gly 140 | - | expression tag |
| Ala 141 | - | expression tag |
| Met 142 | - | expression tag |
| Ala 143 | - | expression tag |
| Asp 473 | Ser 473 | engineered mutation |
| Ser 478 | Gly 478 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 81180.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 845.1 | |
| All* | Total formula weight | 82025.5 |
