6S9W
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 16a
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | RAC-alpha serine/threonine-protein kinase | polymer | 446 | 51746.0 | 1 | UniProt (P31749) Pfam (PF00169) Pfam (PF00069) Pfam (PF00433) In PDB | Homo sapiens (Human) | Protein kinase B,PKB,Protein kinase B alpha,PKB alpha,Proto-oncogene c-Akt,RAC-PK-alpha |
| 2 | A | ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide | non-polymer | 562.7 | 1 | Chemie (L1Z) | |||
| 3 | water | water | 18.0 | 12 | Chemie (HOH) |
Sequence modifications
A: 2 - 446 (UniProt: P31749)
| PDB | External Database | Details |
|---|---|---|
| Gly 1 | - | expression tag |
| Ala 114 | Glu 114 | engineered mutation |
| Ala 115 | Glu 115 | engineered mutation |
| Ala 116 | Glu 116 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 51746.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 562.7 | |
| All* | Total formula weight | 52308.7 |
