UniProt P42336
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (P42336)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (UniProt P42336), EC 2.7.1.137, 2.7.1.153: 118 experimental structures and 1 predicted model on GenesisL1, 64 ligands bound, 301 pockets. Binding…
- UniProt
- P42336
- Protein
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
- EC
- 2.7.1.137, 2.7.1.153, 2.7.11.1
- Experimental structures
- 118
- Predicted models
- 1
- Ligands
- 64
- Pockets
- 301 · 18 records with a druggable one
Structures
119 records of P42336 in the MolNFT archive: 118 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2ENQ | Solution structure of the C2 domain from human PI3-kinase p110 subunit alpha | solution nmr | A | — | — |
| 2ENQ | Solution structure of the C2 domain from human PI3-kinase P110 subunit alpha | solution nmr | A | — | — |
| 2RD0 | Structure of a human p110alpha/p85alpha complex | x-ray diffraction | A | — | — |
| 2RD0 | Structure of a human P110ALPHA/P85ALPHA complex | x-ray diffraction | A | — | — |
| 3HHM | Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug… | x-ray diffraction | A | — | — |
| 3HHM | Crystal structure of P110ALPHA H1047R mutant in complex with NISH2 of P85ALPHA and the drug… | x-ray diffraction | A | — | — |
| 3HIZ | Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha | x-ray diffraction | A | — | — |
| 3HIZ | Crystal structure of P110ALPHA H1047R mutant in complex with NISH2 of P85ALPHA | x-ray diffraction | A | — | — |
| 3ZIM | Discovery of a potent and isoform-selective targeted covalent inhibitor of the lipid kinase… | x-ray diffraction | A | — | — |
| 3ZIM | Discovery of a potent and isoform-selective targeted covalent inhibitor of the lipid kinase… | x-ray diffraction | A | — | — |
| 4JPS | Co-crystal Structures of the Lipid Kinase PI3K alpha with Pan and Isoform Selective Inhibitors | x-ray diffraction | A | — | — |
| 4JPS | Co-crystal structures of the lipid kinase PI3K alpha with pan and isoform selective inhibitors | x-ray diffraction | A | — | — |
| 4L1B | Crystal Structure of p110alpha complexed with niSH2 of p85alpha | x-ray diffraction | A | — | — |
| 4L1B | Crystal structure of P110ALPHA complexed with NISH2 of P85ALPHA | x-ray diffraction | A | — | — |
| 4L23 | Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103 | x-ray diffraction | A | — | — |
| 4L23 | Crystal structure of P110ALPHA complexed with NISH2 of P85ALPHA and pi-103 | x-ray diffraction | A | — | — |
| 4L2Y | Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d | x-ray diffraction | A | — | — |
| 4L2Y | Crystal structure of P110ALPHA complexed with NISH2 of P85ALPHA and compound 9D | x-ray diffraction | A | — | — |
| 4OVU | Crystal Structure of p110alpha in complex with niSH2 of p85alpha | x-ray diffraction | A | — | — |
| 4OVU | Crystal structure of P110ALPHA in complex with NISH2 of P85ALPHA | x-ray diffraction | A | — | — |
| 4OVV | Crystal Structure of PI3Kalpha in complex with diC4-PIP2 | x-ray diffraction | A | — | — |
| 4OVV | Crystal structure of PI3KALPHA in complex with DIC4-PIP2 | x-ray diffraction | A | — | — |
| 4TUU | Isolated p110a subunit of PI3Ka provides a platform for structure-based drug design | x-ray diffraction | A | — | — |
| 4TUU | Isolated P110A subunit of PI3KA provides a platform for structure- based drug design | x-ray diffraction | A | — | — |
| 4TV3 | Isolated p110a subunit of PI3Ka provides a platform for structure-based drug design | x-ray diffraction | A | — | — |
| 4TV3 | Isolated P110A subunit of PI3KA provides a platform for structure- based drug design | x-ray diffraction | A | — | — |
| 4WAF | Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha | x-ray diffraction | A | — | — |
| 4WAF | Crystal structure of a novel TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE in an engineered PI3K alpha | x-ray diffraction | A | — | — |
| 4YKN | Pi3K alpha lipid kinase with Active Site Inhibitor | x-ray diffraction | A | — | — |
| 4YKN | PI3K alpha lipid kinase with active site inhibitor | x-ray diffraction | A | — | — |
| 4ZOP | Co-crystal structure of lipid kinase PI3K alpha with a selective phosphatidylinositol-3 kinase… | x-ray diffraction | A | — | — |
| 5DXH | p110alpha/p85alpha with compound 5 | x-ray diffraction | A, D | 5H2 | — |
| 5DXH | P110ALPHA/P85ALPHA with compound 5 | x-ray diffraction | A, D | — | — |
| 5DXT | p110alpha with GDC-0326 | x-ray diffraction | A | 5H5 | 11 (best 0.85) |
| 5DXT | P110ALPHA with gdc-0326 | x-ray diffraction | A | — | — |
| 5FI4 | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse… | x-ray diffraction | A | 5XV | — |
| 5FI4 | Discovery of IMIDAZO[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse… | x-ray diffraction | A | — | — |
| 5ITD | Crystal structure of PI3K alpha with PI3K delta inhibitor | x-ray diffraction | A | 6CY | — |
| 5ITD | Crystal structure of PI3K alpha with PI3K delta inhibitor | x-ray diffraction | A | — | — |
| 5SW8 | Crystal structure of PI3KALPHA in complex with fragments 7 and 11 | x-ray diffraction | A | 70S, FB1 | — |
| 5SWG | Crystal structure of PI3KALPHA in complex with fragments 5 and 21 | x-ray diffraction | A | AX7 | — |
| 5SWO | Crystal structure of PI3KALPHA in complex with fragments 4 and 19 | x-ray diffraction | A | CL, 70T, 2ZV | — |
| 5SWP | Crystal Structure of PI3Kalpha in complex with fragments 6 and 24 | x-ray diffraction | A | 70W, 70V, CL | 17 (best 0.88) |
| 5SWP | Crystal structure of PI3KALPHA in complex with fragments 6 and 24 | x-ray diffraction | A | 70W, 70V, CL | — |
| 5SWR | Crystal structure of PI3KALPHA in complex with fragments 20 and 26 | x-ray diffraction | A | 718, CL | — |
| 5SWT | Crystal Structure of PI3Kalpha in complex with fragments 17 and 27 | x-ray diffraction | A | 71A, 71B | 15 (best 0.87) |
| 5SWT | Crystal structure of PI3KALPHA in complex with fragments 17 and 27 | x-ray diffraction | A | 71A, 71B | — |
| 5SX8 | Crystal structure of PI3KALPHA in complex with fragments 12 and 15 | x-ray diffraction | A | 71M, LUZ | — |
| 5SX9 | Crystal structure of PI3KALPHA in complex with fragment 14 | x-ray diffraction | A | 71L | — |
| 5SXA | Crystal Structure of PI3Kalpha in complex with fragment 10 | x-ray diffraction | A | 71N | 20 (best 0.83) |
| 5SXA | Crystal structure of PI3KALPHA in complex with fragment 10 | x-ray diffraction | A | 71N | — |
| 5SXB | Crystal structure of PI3KALPHA in complex with fragment 23 | x-ray diffraction | A | SOA | — |
| 5SXC | Crystal structure of PI3KALPHA in complex with fragment 8 | x-ray diffraction | A | URF | — |
| 5SXD | Crystal Structure of PI3Kalpha in complex with fragment 22 | x-ray diffraction | A | 71F | 16 (best 0.88) |
| 5SXD | Crystal structure of PI3KALPHA in complex with fragment 22 | x-ray diffraction | A | 71F | — |
| 5SXE | Crystal structure of PI3KALPHA in complex with fragments 19 and 28 | x-ray diffraction | A | 71G, ES3 | — |
| 5SXF | Crystal structure of PI3KALPHA in complex with fragment 9 | x-ray diffraction | A | HPP | — |
| 5SXI | Crystal structure of PI3KALPHA in complex with fragment 13 | x-ray diffraction | A | 71J | — |
| 5SXJ | Crystal structure of PI3KALPHA in complex with fragment 29 | x-ray diffraction | A | BHO | — |
| 5SXK | Crystal structure of PI3KALPHA in complex with fragment 18 | x-ray diffraction | A | 71K | — |
59 records more on the page itself.
Ligands
- SO4 · Sulfate ion · in 6 records
- CL · Chloride ion · in 5 records
- 1LT · (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide · in 2 records
- 70V · 2-methylcyclohexane-1,3-dione · in 2 records
- 70W · tert-butyl 4-aminopiperidine-1-carboxylate · in 2 records
- 71A · pyridin-3-ol · in 2 records
- 71B · 3-fluoro-4-methoxyaniline · in 2 records
- 71F · 2-methoxybenzoic acid · in 2 records
- 71N · 2-(trifluoromethyl)-1H-benzimidazol-5-amine · in 2 records
- 84X · 3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol · in 2 records
- 85S · 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one · in 2 records
- 8DY · 3-amino-6-(4-{[(2S)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-N-phenylpyrazine-2-carboxamide · in 2 records
- FCZ · 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine · in 2 records
- FDH · 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine · in 2 records
- FDW · 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine · in 2 records
- FE5 · 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine · in 2 records
- PO4 · Phosphate ion · in 2 records
- VYP · 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine · in 2 records
- X3N · N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide · in 2 records
- ZHY · 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide · in 2 records
- ZWE · N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea · in 2 records
- 2IX · N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide · in 1 record
- 2Q7 · N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide · in 1 record
- 2ZV · 4-methyl-3-nitropyridin-2-amine · in 1 record
- 3K6 · N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide · in 1 record
- 5H2 · methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate · in 1 record
- 5H5 · (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide · in 1 record
- 5XV · ~{N}-[6-[5-azanyl-6-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide · in 1 record
- 6CY · 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile · in 1 record
- 70S · 2H-indazol-5-amine · in 1 record
Experiment against prediction
- 5UKJ chain A against the predicted model P42336: TM-score 1.00, RMSD 0.70 Å
- 5UL1 chain A against the predicted model P42336: TM-score 1.00, RMSD 0.71 Å
- 5UL1 chain A against the predicted model P42336: TM-score 1.00, RMSD 0.71 Å
- 8SBC chain A against the predicted model P42336: TM-score 1.00, RMSD 0.72 Å
- 5ITD chain A against the predicted model P42336: TM-score 1.00, RMSD 0.83 Å
- 5ITD chain A against the predicted model P42336: TM-score 1.00, RMSD 0.83 Å
- 5DXT chain A against the predicted model P42336: TM-score 1.00, RMSD 0.72 Å
- 5DXT chain A against the predicted model P42336: TM-score 1.00, RMSD 0.72 Å
- 4L2Y chain A against the predicted model P42336: TM-score 0.99, RMSD 0.78 Å
- 4L2Y chain A against the predicted model P42336: TM-score 0.99, RMSD 0.78 Å
Elsewhere
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