5KCV
Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1
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 | 460 | 53558.0 | 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 | 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine | non-polymer | 432.5 | 1 | Chemie (6S1) | |||
3 | water | water | 18.0 | 79 | Chemie (HOH) |
Sequence modifications
A: 2 - 446 (UniProt: P31749)
PDB | External Database | Details |
---|---|---|
Met -13 | - | expression tag |
Gly -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
His -9 | - | expression tag |
His -8 | - | expression tag |
His -7 | - | expression tag |
His -6 | - | expression tag |
Glu -5 | - | expression tag |
Asn -4 | - | expression tag |
Leu -3 | - | expression tag |
Tyr -2 | - | expression tag |
Phe -1 | - | expression tag |
Gln 0 | - | expression tag |
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 | 53558.0 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 432.5 | |
All* | Total formula weight | 53990.5 |