3OW4
Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0004674 | molecular_function | protein serine/threonine kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006468 | biological_process | protein phosphorylation |
| B | 0004672 | molecular_function | protein kinase activity |
| B | 0004674 | molecular_function | protein serine/threonine kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0006468 | biological_process | protein phosphorylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE SMY A 1 |
| Chain | Residue |
| A | HOH124 |
| A | THR291 |
| A | PHE438 |
| C | ARG4 |
| A | LEU156 |
| A | GLY157 |
| A | GLY162 |
| A | VAL164 |
| A | GLU228 |
| A | ALA230 |
| A | GLU234 |
| A | MET281 |
| site_id | AC2 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE SMY B 2 |
| Chain | Residue |
| B | LEU156 |
| B | GLY157 |
| B | LYS158 |
| B | GLY162 |
| B | ALA177 |
| B | LYS179 |
| B | GLU228 |
| B | ALA230 |
| B | GLU234 |
| B | THR291 |
| B | PHE438 |
| D | ARG4 |
Functional Information from PROSITE/UniProt
| site_id | PS00107 |
| Number of Residues | 34 |
| Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGKGTFGKVIlVkekatgryyamkilkkevIVAK |
| Chain | Residue | Details |
| A | LEU156-LYS189 |
| site_id | PS00108 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. VvYrDLKleNLML |
| Chain | Residue | Details |
| A | VAL270-LEU282 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine; by PKB/AKT1, RPS6KA3 and SGK3 => ECO:0000269|PubMed:12054501, ECO:0000269|PubMed:16484495, ECO:0000269|PubMed:20937854, ECO:0000269|PubMed:24391509, ECO:0000269|PubMed:25169422, ECO:0000269|PubMed:35606353, ECO:0000269|PubMed:8250835 |
| Chain | Residue | Details |
| C | SER7 | |
| D | SER7 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159 |
| Chain | Residue | Details |
| A | LEU156 | |
| A | LYS179 | |
| B | LEU156 | |
| B | LYS179 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | SITE: Cleavage; by caspase-3 => ECO:0000250|UniProtKB:P31750 |
| Chain | Residue | Details |
| A | ASP462 | |
| B | ASP462 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphotyrosine; by TNK2 => ECO:0000269|PubMed:20333297 |
| Chain | Residue | Details |
| A | TYR176 | |
| B | TYR176 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphothreonine; by IKKE, PDPK1 and TBK1 => ECO:0000269|PubMed:15718470, ECO:0000269|PubMed:18456494, ECO:0000269|PubMed:20333297, ECO:0000269|PubMed:20481595, ECO:0000269|PubMed:21464307, ECO:0000269|PubMed:8978681, ECO:0000269|PubMed:9512493 |
| Chain | Residue | Details |
| A | TPO308 | |
| B | TPO308 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphothreonine => ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | THR448 | |
| A | THR450 | |
| B | THR448 | |
| B | THR450 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine; by IKKE, MTOR and TBK1; alternate => ECO:0000269|PubMed:14761976, ECO:0000269|PubMed:15047712, ECO:0000269|PubMed:15718470, ECO:0000269|PubMed:16266983, ECO:0000269|PubMed:17013611, ECO:0000269|PubMed:20333297, ECO:0000269|PubMed:20978158, ECO:0000269|PubMed:21464307, ECO:0000269|PubMed:23799035, ECO:0000269|PubMed:8978681, ECO:0000269|PubMed:9736715 |
| Chain | Residue | Details |
| A | ASP473 | |
| B | ASP473 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphotyrosine => ECO:0000269|PubMed:12149249 |
| Chain | Residue | Details |
| A | TYR474 | |
| B | TYR474 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 4 |
| Details | CARBOHYD: O-linked (GlcNAc) threonine => ECO:0000269|PubMed:22629392 |
| Chain | Residue | Details |
| A | THR305 | |
| A | THR312 | |
| B | THR305 | |
| B | THR312 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 2 |
| Details | CARBOHYD: O-linked (GlcNAc) serine; alternate => ECO:0000250|UniProtKB:P31750 |
| Chain | Residue | Details |
| A | ASP473 | |
| B | ASP473 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 4 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:22410793 |
| Chain | Residue | Details |
| A | LYS284 | |
| B | LYS284 |
