UniProt O00329
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (O00329)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (UniProt O00329), EC 2.7.1.137, 2.7.1.153: 30 experimental structures and 1 predicted model on GenesisL1, 19 ligands bound, 473 pockets. Binding…
- UniProt
- O00329
- Protein
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
- EC
- 2.7.1.137, 2.7.1.153
- Experimental structures
- 30
- Predicted models
- 1
- Ligands
- 19
- Pockets
- 473 · 31 records with a druggable one
Structures
31 records of O00329 in the MolNFT archive: 30 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5DXU | p110delta/p85alpha with GDC-0326 | x-ray diffraction | A | 5H5 | 15 (best 0.83) |
| 5DXU | P110DELTA/P85ALPHA with gdc-0326 | x-ray diffraction | A | 5H5 | 15 (best 0.83) |
| 5M6U | Human PI3KDELTA in complex with LASW1579 | x-ray diffraction | A | 7KA | 20 (best 0.81) |
| 5M6U | Human PI3KDELTA in complex with LASW1579 | x-ray diffraction | A | 7KA | 20 (best 0.81) |
| 5T8F | p110delta/p85alpha with taselisib (GDC-0032) | x-ray diffraction | A | 799 | 15 (best 0.82) |
| 5T8F | P110DELTA/P85ALPHA with taselisib (gdc-0032) | x-ray diffraction | A | 799 | 15 (best 0.82) |
| 5UBT | Crystal structure of PI3K delta in complex with a 7-(3-(piperazin-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4]… | x-ray diffraction | A | 85S | 15 (best 0.82) |
| 5UBT | Crystal structure of PI3K delta in complex with a 7-(3-(piperazin-1… | x-ray diffraction | A | 85S | 15 (best 0.82) |
| 5VLR | Crystal structure of PI3K delta in complex with a trifluoro-ethyl-pyrazol-pyrolotriazine inhibitor | x-ray diffraction | A | 9EM | 14 (best 0.82) |
| 5VLR | Crystal structure of PI3K delta in complex with a trifluoro-ethyl- pyrazol-pyrolotriazine inhibitor | x-ray diffraction | A | 9EM | 14 (best 0.82) |
| 6G6W | Human PI3KDELTA in complex with ligand LASW1976 | x-ray diffraction | A | EO5 | 18 (best 0.83) |
| 6G6W | Human PI3KDELTA in complex with ligand LASW1976 | x-ray diffraction | A | EO5 | 18 (best 0.83) |
| 6OCO | Human PI3KDELTA in complex with compound 6 | x-ray diffraction | A | M5V | 15 (best 0.83) |
| 6OCO | Human PI3KDELTA in complex with compound 6 | x-ray diffraction | A | M5V | 15 (best 0.83) |
| 6OCU | Human PI3KDELTA in complex with compound 29 | x-ray diffraction | A | M5D | 18 (best 0.81) |
| 6OCU | Human PI3KDELTA in complex with compound 29 | x-ray diffraction | A | M5D | 18 (best 0.81) |
| 6PYR | Human PI3Kdelta in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)p… | x-ray diffraction | A | P5J | 14 (best 0.84) |
| 6PYR | Human PI3KDELTA in complex with compound 2-10 ((3S)-3-benzyl-3-methyl… | x-ray diffraction | A | P5J | 14 (best 0.84) |
| 6PYU | Human PI3Kdelta in complex with Compound 4-2 ((3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spir… | x-ray diffraction | A | P5V | 14 (best 0.83) |
| 6PYU | Human PI3KDELTA in complex with compound 4-2 ((3S)-1'… | x-ray diffraction | A | P5V | 14 (best 0.83) |
| 7JIS | Human PI3KDELTA in complex with compound 2F | x-ray diffraction | A | VBS | 13 (best 0.82) |
| 7JIS | Human PI3KDELTA in complex with compound 2F | x-ray diffraction | A | VBS | 13 (best 0.82) |
| 7LM2 | Human PI3KDELTA in complex with compound 3C | x-ray diffraction | A | Y5Y, SO4 | 15 (best 0.84) |
| 7LM2 | Human PI3KDELTA in complex with compound 3C | x-ray diffraction | A | Y5Y, SO4 | 15 (best 0.84) |
| 7LQ1 | Human PI3KDELTA in complex with compound 28 | x-ray diffraction | A | YA7, CL | 15 (best 0.81) |
| 7LQ1 | Human PI3KDELTA in complex with compound 28 | x-ray diffraction | A | YA7, CL | 15 (best 0.81) |
| 8BCY | Human PI3KDELTA in complex with compound 13 | x-ray diffraction | A | I3H | 14 (best 0.81) |
| 8S3R | Human PI3KDELTA in complex with pyridazinone inhibitor 7 | x-ray diffraction | A | A1H48 | 15 (best 0.83) |
| 9GCF | Human PI3KDELTA in complex with isocumarin inhibitor chf-6523 | x-ray diffraction | A | A1IJ5 | 13 (best 0.84) |
| 9GDI | Human PI3KDELTA in complex with isocumarin inhibitor 10 | x-ray diffraction | A | A1IJ1 | 17 (best 0.83) |
| O00329 | AlphaFold monomer V2.0 prediction for phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic… | predicted | A | — | 12 (best 0.84) |
Ligands
- 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 2 records
- 799 · 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-D][1, 4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide · in 2 records
- 7KA · 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl) ethyl]amino]pyrimidine-5-carbonitrile · 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
- 9EM · 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one · in 2 records
- CL · Chloride ion · in 2 records
- EO5 · ~{N}-[3-[4-[[(1~{S})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide · in 2 records
- M5D · 5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl) pyrazine-2-carbonitrile · in 2 records
- M5V · 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl) pyrimidine-5-carbonitrile · in 2 records
- P5J · (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl) pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one · in 2 records
- P5V · (3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl) spiro[indole-3,2'-pyrrolidin]-2(1H)-one · in 2 records
- SO4 · Sulfate ion · in 2 records
- VBS · (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one · in 2 records
- Y5Y · cyclopropyl[(3S)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}pyrrolidin-1-yl]methanone · in 2 records
- YA7 · N-(5-(6-(2-((2S,6R)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl) methanesulfonamide · in 2 records
- A1H48 · 5-[(1~{S})-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-cyclopentyl-2-(phenylmethyl)pyridazin-3-one · in 1 record
- A1IJ1 · 3-[(1S)-1-[4-azanyl-3-(3-fluoranyl-5-oxidanyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one · in 1 record
- A1IJ5 · 3-[(1S)-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]isochromen-1-one · in 1 record
- I3H · 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide · in 1 record
Experiment against prediction
- 6OCU chain A against the predicted model O00329: TM-score 0.98, RMSD 1.54 Å
- 6OCU chain A against the predicted model O00329: TM-score 0.98, RMSD 1.54 Å
- 6G6W chain A against the predicted model O00329: TM-score 0.98, RMSD 1.56 Å
- 6G6W chain A against the predicted model O00329: TM-score 0.98, RMSD 1.56 Å
- 9GCF chain A against the predicted model O00329: TM-score 0.98, RMSD 1.58 Å
- 7JIS chain A against the predicted model O00329: TM-score 0.98, RMSD 1.58 Å
- 7JIS chain A against the predicted model O00329: TM-score 0.98, RMSD 1.58 Å
- 5UBT chain A against the predicted model O00329: TM-score 0.98, RMSD 1.58 Å
- 5UBT chain A against the predicted model O00329: TM-score 0.98, RMSD 1.58 Å
- 8BCY chain A against the predicted model O00329: TM-score 0.98, RMSD 1.58 Å
Elsewhere
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