3QKK
Spirochromane 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 (A) | RAC-alpha serine/threonine-protein kinase | polymer | 341 | 39467.0 | 1 | UniProt (P31749) Pfam (PF00069) Pfam (PF00433) | Homo sapiens (human) | Protein kinase B,PKB,Protein kinase B alpha,PKB alpha,Proto-oncogene c-Akt,RAC-PK-alpha |
| 2 | B (C) | Glycogen synthase kinase-3 beta | polymer | 10 | 1123.2 | 1 | UniProt (P49841) | Homo sapiens | GSK-3 beta,Serine/threonine-protein kinase GSK3B |
| 3 | C (A) | N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide | non-polymer | 546.7 | 1 | Chemie (SMH) | |||
| 4 | D, E (A, C) | water | water | 18.0 | 121 | Chemie (HOH) |
Sequence modifications
A: 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 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 40590.2 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 546.7 | |
| All* | Total formula weight | 41136.9 |
