Human PI3KDELTA in complex with isocumarin inhibitor chf-6523. Determined by X-ray diffraction at 2.89 Å resolution. Released 18 Dec 2024.
Explore 9GCF in 3D Show helices and sheets RCSB PDB PDBe
9GCF contains 53 α-helices and 50 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 20-25 | 6 | 1 |
| β-strand | 31-36 | 6 | 1 |
| β-strand | 41 | 1 | 2 |
| α-helix | 42-53 | 12 | |
| α-helix | 65-67 | 3 | |
| β-strand | 68-73 | 6 | 1 |
| β-strand | 74 | 1 | 3 |
| β-strand | 79-81 | 3 | 1 |
| β-strand | 88 | 1 | 2 |
| α-helix | 89-92 | 4 | |
| β-strand | 94 | 1 | 3 |
| β-strand | 98-103 | 6 | 1 |
| α-helix | 108-121 | 14 | |
| α-helix | 126-130 | 5 | |
| α-helix | 134-156 | 23 | |
| α-helix | 159-166 | 8 | |
| β-strand | 171 | 1 | 4 |
| β-strand | 189-194 | 6 | 5 |
| β-strand | 196 | 1 | 6 |
| β-strand | 203-208 | 6 | 5 |
| α-helix | 213-225 | 13 | |
| β-strand | 239-243 | 5 | 6 |
| β-strand | 246 | 1 | 7 |
| β-strand | 249-250 | 2 | 6 |
| α-helix | 256-258 | 3 | |
| β-strand | 259 | 1 | 4 |
| α-helix | 260-268 | 9 | |
| α-helix | 270-272 | 3 | |
| β-strand | 273 | 1 | 5 |
| β-strand | 274-278 | 5 | 6 |
| α-helix | 279-287 | 9 | |
| α-helix | 321 | 1 | |
| β-strand | 322-331 | 10 | 8 |
| β-strand | 340-348 | 9 | 9 |
| β-strand | 353 | 1 | 9 |
| β-strand | 358-359 | 2 | 9 |
| α-helix | 360-362 | 3 | |
| β-strand | 363-364 | 2 | 9 |
| β-strand | 370-380 | 11 | 8 |
| β-strand | 389-397 | 9 | 9 |
| β-strand | 416-424 | 9 | 9 |
| β-strand | 426 | 1 | 10 |
| β-strand | 431 | 1 | 11 |
| β-strand | 432 | 1 | 10 |
| α-helix | 433 | 1 | |
| β-strand | 435-440 | 6 | 8 |
| α-helix | 441 | 1 | |
| β-strand | 442-443 | 2 | 9 |
| α-helix | 444-446 | 3 | |
| α-helix | 461-462 | 2 | |
| β-strand | 470-475 | 6 | 8 |
| α-helix | 476-477 | 2 | |
| β-strand | 484 | 1 | 11 |
| α-helix | 485-487 | 3 | |
| α-helix | 488-495 | 8 | |
| α-helix | 505-516 | 12 | |
| α-helix | 525-533 | 9 | |
| α-helix | 535-541 | 7 | |
| α-helix | 543-545 | 3 | |
| α-helix | 546-552 | 7 | |
| α-helix | 558-569 | 12 | |
| α-helix | 571-575 | 5 | |
| α-helix | 576-581 | 6 | |
| α-helix | 590-600 | 11 | |
| α-helix | 605-618 | 14 | |
| α-helix | 619-621 | 3 | |
| α-helix | 628-639 | 12 | |
| α-helix | 641-652 | 12 | |
| α-helix | 658-673 | 16 | |
| α-helix | 676-705 | 30 | |
| α-helix | 708-720 | 13 | |
| α-helix | 722-728 | 7 | |
| β-strand | 731-732 | 2 | 12 |
| β-strand | 739 | 1 | 7 |
| β-strand | 740-741 | 2 | 12 |
| β-strand | 743-744 | 2 | 13 |
| β-strand | 750-751 | 2 | 13 |
| β-strand | 759-764 | 6 | 13 |
| β-strand | 773-780 | 8 | 13 |
| α-helix | 785-803 | 19 | |
| β-strand | 815-819 | 5 | 13 |
| β-strand | 822-826 | 5 | 13 |
| β-strand | 831-833 | 3 | 14 |
| α-helix | 834-838 | 5 | |
| α-helix | 854-862 | 9 | |
| α-helix | 867-889 | 23 | |
| α-helix | 896-898 | 3 | |
| β-strand | 899-902 | 4 | 14 |
| β-strand | 907-909 | 3 | 14 |
| β-strand | 918 | 1 | 15 |
| β-strand | 927 | 1 | 15 |
| α-helix | 930-932 | 3 | |
| α-helix | 936-942 | 7 | |
| α-helix | 950-969 | 20 | |
| α-helix | 971-980 | 10 | |
| α-helix | 981-984 | 4 | |
| β-strand | 986 | 1 | 16 |
| β-strand | 989 | 1 | 16 |
| α-helix | 992-1002 | 11 | |
| α-helix | 1008-1027 | 20 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 442-515 | 74 | |
| α-helix | 518-587 | 70 | |
| α-helix | 591-598 | 8 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | A | protein | 1044 | Homo sapiens | O00329 (AlphaFold model) |
| Phosphatidylinositol 3-kinase regulatory subunit alpha | B | protein | 170 | Bos taurus | P23727 (AlphaFold model) |
>9GCF_1 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (chains A) MPPGVDCPMEFWTKEENQSVVVDFLLPTGVYLNFPVSRNANLSTIKQLLWHRAQYEPLFH MLSGPEAYVFTCINQTAEQQELEDEQRRLCDVQPFLPVLRLVAREGDRVKKLINSQISLL IGKGLHEFDSLCDPEVNDFRAKMCQFCEEAAARRQQLGWEAWLQYSFPLQLEPSAQTWGP GTLRLPNRALLVNVKFEGSEESFTFQVSTKDVPLALMACALRKKATVFRQPLVEQPEDYT LQVNGRHEYLYGSYPLCQFQYICSCLHSGLTPHLTMVHSSSILAMRDEQSNPAPQVQKPR AKPPPIPAKKPSSVSLWSLEQPFRIELIQGSKVNADERMKLVVQAGLFHGNEMLCKTVSS SEVSVCSEPVWKQRLEFDINICDLPRMARLCFALYAVIEKAKKARSTKKKSKKADCPIAW ANLMLFDYKDQLKTGERCLYMWPSVPDEKGELLNPTGTVRSNPNTDSAAALLICLPEVAP HPVYYPALEKILELGRHSECVHVTEEEQLQLREILERRGSGELYEHEKDLVWKLRHEVQE HFPEALARLLLVTKWNKHEDVAQMLYLLCSWPELPVLSALELLDFSFPDCHVGSFAIKSL RKLTDDELFQYLLQLVQVLKYESYLDCELTKFLLDRALANRKIGHFLFWHLRSEMHVPSV ALRFGLILEAYCRGSTHHMKVLMKQGEALSKLKALNDFVKLSSQKTPKPQTKELMHLCMR QEAYLEALSHLQSPLDPSTLLAEVCVEQCTFMDSKMKPLWIMYSNEEAGSGGSVGIIFKN GDDLRQDMLTLQMIQLMDVLWKQEGLDLRMTPYGCLPTGDRTGLIEVVLRSDTIANIQLN KSNMAATAAFNKDALLNWLKSKNPGEALDRAIEEFTLSCAGYCVATYVLGIGDRHSDNIM IRESGQLFHIDFGHFLGNFKTKFGINRERVPFILTYDFVHVIQQGKTNNSEKFERFRGYC ERAYTILRRHGLLFLHLFALMRAAGLPELSCSKDIQYLKDSLALGKTEEEALKHFRVKFN EALRESWKTKVNWLAHNVSKDNRQ
>9GCF_2 Phosphatidylinositol 3-kinase regulatory subunit alpha (chains B) YQQDQVVKEDNIEAVGKKLHEYNTQFQEKSREYDRLYEDYTRTSQEIQMKRTAIEAFNET IKIFEEQCQTQERYSKEYIEKFKREGNETEIQRIMHNYEKLKSRISEIVDSRRRLEEDLK KQAAEYREIDKRMNSIKPDLIQLRKTRDQYLMWLTQKGVRQKKLNEWLGN
| ID | Name | Formula | Copies |
|---|---|---|---|
| A1IJ5 | 3-[(1S)-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]eth… | C33 H32 N8 O3 | 1 |
Discovery of CHF-6523, an Inhaled Selective PI3K delta Inhibitor for the Treatment of Chronic Obstructive Pulmonary Disease. Bruno, P., Pala, D., Micoli, A. et al. J Med Chem (2025) 68:2444-2465. DOI 10.1021/acs.jmedchem.4c02062 · PubMed
Other PDB entries of the same protein (UniProt O00329 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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