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2pni

SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE SH3 DOMAIN OF THE P85ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL 3-KINASE

Method: SOLUTION NMR Dmax: 44.7 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN

Bos taurus

UniProt P23727

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 1–84 Not recorded No other associated polymer SOLUTION NMR mmCIF provides none of the parsed experimental conditions Resolution not provided

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 2PNI Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1BFI SOLUTION STRUCTURE OF THE C-TERMINAL SH2 DOMAIN OF THE P85ALPHA REGULATORY SUBUNIT OF PHOSPHOINOSITIDE 3-KINASE, NMR, 30 STRUCTURES Deposited 1997-11-18 Different construct Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 614–724（111 aa） Fragment：C TERMINAL SH2 DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.5；290 K；Ionic strength (raw mmCIF value) 50 mM；Pressure 1
Resolution not provided
1BFJ SOLUTION STRUCTURE OF THE C-TERMINAL SH2 DOMAIN OF THE P85ALPHA REGULATORY SUBUNIT OF PHOSPHOINOSITIDE 3-KINASE, NMR, MINIMIZED AVERAGE STRUCTURE Deposited 1997-11-18 Different construct Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 614–724（111 aa） Fragment：C TERMINAL SH2 DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.5；290 K；Ionic strength (raw mmCIF value) 50 mM；Pressure 1
Resolution not provided
1OO3 P395S mutant of the p85 regulatory subunit of the N-terminal src homology 2 domain of PI3-Kinase Deposited 2003-03-03 Different construct Different mutation/modification Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 321–431（111 aa） Fragment：p85 N-SH2
Mutation：P395S No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.8；303 K；Ionic strength (raw mmCIF value) 0.1M KCl；Pressure ambient
NMR sample composition 1.5mM P395S-15N,13C, 0.1M KCl | 90% H2O/10% D2O
Resolution not provided
1OO4 P395S mutant of the p85 regulatory subunit of the N-terminal src homology 2 domain of PI3-Kinase complexed to a peptide derived from PDGFr Deposited 2003-03-03 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 321–431（111 aa） Fragment：p85 N-SH2
Mutation：P395S No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.8；303 K；Ionic strength (raw mmCIF value) 0.1M KCl；Pressure ambient
NMR sample composition 1.5mM P395S-15N, 13C, 0.1M KCl | 90% H2O/10% D2O
Resolution not provided
1PNJ SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE SH3 DOMAIN OF THE P85ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL 3-KINASE Deposited 1993-07-19 Parsed fields agree Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–84（84 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
1QAD Crystal Structure of the C-Terminal SH2 Domain of the P85 alpha Regulatory Subunit of Phosphoinositide 3-Kinase: An SH2 domain mimicking its own substrate Deposited 1999-02-26 Different construct Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 614–724（111 aa） Fragment：C-TERMINAL SH2 DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions SPONTANEOUS CRYSTALLISATION；pH 7.5；277 K；TRIS-HCL, NACL, EDTA, DTT, pH 7.5, SPONTANEOUS CRYSTALLISATION, temperature 277.0K
Resolution 1.80 Å R-free 0.236
2PNA STRUCTURE OF AN SH2 DOMAIN OF THE P85 ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL-3-OH KINASE Deposited 1992-06-30 Different construct Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 328–431（104 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
2PNB STRUCTURE OF AN SH2 DOMAIN OF THE P85 ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL-3-OH KINASE Deposited 1992-06-30 Different construct Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 328–431（104 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
5DXH p110alpha/p85alpha with compound 5 Deposited 2015-09-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 431–599（169 aa） Fragment：UNP residues 431-599
Not recorded 5H2 methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 20000
Resolution 3.00 Å R-free 0.218
5DXH p110alpha/p85alpha with compound 5 Deposited 2015-09-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 431–599（169 aa） Fragment：UNP residues 431-599
Not recorded 5H2 methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 20000
Resolution 3.00 Å R-free 0.218
5DXU p110delta/p85alpha with GDC-0326 Deposited 2015-09-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 431–599（169 aa） Fragment：UNP residues 431-599
Not recorded 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 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG
Resolution 2.64 Å R-free 0.284
5T8F p110delta/p85alpha with taselisib (GDC-0032) Deposited 2016-09-07 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 431–599（169 aa） Fragment：PI3-KINASE P110 DELTA AND P85 FRAGMENT
Not recorded 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 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG
Resolution 2.91 Å R-free 0.304
6D81 Structure of the Bovine p85a BH domain Deposited 2018-04-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 110–302（193 aa）
Chain B 110–302（193 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.5 M Li2SO4, pH 6.0, 100mM Na Cacodylate
Resolution 2.25 Å R-free 0.213
6D81 Structure of the Bovine p85a BH domain Deposited 2018-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 110–302（193 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.5 M Li2SO4, pH 6.0, 100mM Na Cacodylate
Resolution 2.25 Å R-free 0.213
6D81 Structure of the Bovine p85a BH domain Deposited 2018-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 110–302（193 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.5 M Li2SO4, pH 6.0, 100mM Na Cacodylate
Resolution 2.25 Å R-free 0.213
6D82 Structure of the Bovine p85a BH domain Deposited 2018-04-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 110–302（193 aa） Fragment：residues 110-302
Chain B 110–302（193 aa） Fragment：residues 110-302
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.5 M Li2SO4, 100mM Na Cacodylate pH 6.0
Resolution 2.41 Å R-free 0.228
6D82 Structure of the Bovine p85a BH domain Deposited 2018-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 110–302（193 aa） Fragment：residues 110-302
Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.5 M Li2SO4, 100mM Na Cacodylate pH 6.0
Resolution 2.41 Å R-free 0.228
6D82 Structure of the Bovine p85a BH domain Deposited 2018-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 110–302（193 aa） Fragment：residues 110-302
Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.5 M Li2SO4, 100mM Na Cacodylate pH 6.0
Resolution 2.41 Å R-free 0.228
6D85 Structure of the Bovine p85a BH domain E217K mutant Deposited 2018-04-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 110–302（193 aa） Fragment：residues 110-302
Chain B 110–302（193 aa） Fragment：residues 110-302
Mutation：E217K Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：E217K Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.5 M Li2SO4, 100 mM Na Cacodylate, pH 6.0
Resolution 2.20 Å R-free 0.221
6D85 Structure of the Bovine p85a BH domain E217K mutant Deposited 2018-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 110–302（193 aa） Fragment：residues 110-302
Mutation：E217K Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.5 M Li2SO4, 100 mM Na Cacodylate, pH 6.0
Resolution 2.20 Å R-free 0.221
6D85 Structure of the Bovine p85a BH domain E217K mutant Deposited 2018-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 110–302（193 aa） Fragment：residues 110-302
Mutation：E217K Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.5 M Li2SO4, 100 mM Na Cacodylate, pH 6.0
Resolution 2.20 Å R-free 0.221
6D86 Structure of the Bovine p85a BH domain Deposited 2018-04-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 110–302（193 aa）
Chain B 110–302（193 aa）
Mutation：E297K Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：E297K Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.5 M Li2SO4, 100 mM Na Cacodylate, pH 6.0
Resolution 2.30 Å R-free 0.214
6D87 Structure of the Bovine p85alpha BH domain, R262T mutant Deposited 2018-04-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 110–302（193 aa）
Chain B 110–302（193 aa）
Mutation：R262T Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：R262T Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.5 M Li2SO4, 100 mM Na Cacodylate, pH 6.0
Resolution 2.70 Å R-free 0.238
6G6W HUMAN PI3KDELTA IN COMPLEX WITH LIGAND LASW1976 Deposited 2018-04-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 431–599（169 aa） Fragment：UNP residues 431-599
Not recorded 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 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG
Resolution 2.72 Å R-free 0.260
6MRP Structure of the Bovine p85a BH domain R228E mutant Deposited 2018-10-15 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 110–319（210 aa）
Chain B 110–319（210 aa）
Mutation：R228E Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：R228E Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.1；298 K；1.5 M Li2SO4, 4% glycerol, 0.1 Sodium Cacodylate buffer
Resolution 2.40 Å R-free 0.225
6MRP Structure of the Bovine p85a BH domain R228E mutant Deposited 2018-10-15 Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 110–319（210 aa）
Mutation：R228E Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.1；298 K；1.5 M Li2SO4, 4% glycerol, 0.1 Sodium Cacodylate buffer
Resolution 2.40 Å R-free 0.225
6MRP Structure of the Bovine p85a BH domain R228E mutant Deposited 2018-10-15 Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 110–319（210 aa）
Mutation：R228E Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.1；298 K；1.5 M Li2SO4, 4% glycerol, 0.1 Sodium Cacodylate buffer
Resolution 2.40 Å R-free 0.225
6OCO HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 6 Deposited 2019-03-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 431–600（170 aa）
Not recorded M5V 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；16.60 % PEG6000 0.10 M KCl 0.10 M MES pH=6.00
Resolution 2.58 Å R-free 0.296
6OCU HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29 Deposited 2019-03-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 431–600（170 aa）
Not recorded 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 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；16% PEG6000 0.10 M KCl 0.10 M MES pH 6.0
Resolution 2.77 Å R-free 0.287
6R4R Cryo-EM Structure of the PI3-Kinase SH3 Domain Amyloid Fibril Deposited 2019-03-23 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 7 PDB declaration: heptameric
Chain A 1–84（84 aa）
Chain B 1–84（84 aa）
Chain C 1–84（84 aa）
Chain D 1–84（84 aa）
Chain E 1–84（84 aa）
Chain F 1–84（84 aa）
Chain G 1–84（84 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 2.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
7JIS HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 2F Deposited 2020-07-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 431–599（169 aa）
Not recorded 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 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；16% PEG6000, 0.10 M KCL, 0.10 M MES pH 6.0
Resolution 2.42 Å R-free 0.267
8BCY HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 13 Deposited 2022-10-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 431–599（169 aa）
Not recorded I3H 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16% PEG6000, 0.10 M KCL, 0.10 M MES
Resolution 2.43 Å R-free 0.263
8S3R HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7 Deposited 2024-02-20 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 431–599（169 aa）
Not recorded 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 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16% PEG6000, 0.10 M KCL, 0.10 M MES
Resolution 2.28 Å R-free 0.270
9GCF HUMAN PI3KDELTA IN COMPLEX WITH ISOCUMARIN INHIBITOR CHF-6523 Deposited 2024-08-01 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 431–600（170 aa）
Not recorded 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 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16% PEG6000, 0.10 M KCL, 0.10 M MES
Resolution 2.89 Å R-free 0.296
9GDI HUMAN PI3KDELTA IN COMPLEX WITH ISOCUMARIN INHIBITOR 10 Deposited 2024-08-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 431–600（170 aa）
Not recorded 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 × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16% PEG6000, 0.10 M KCL, 0.10 M MES
Resolution 2.81 Å R-free 0.299
9L3R Human PI3KDELTA in complex with Zandelisib Deposited 2024-12-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 431–600（170 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1L62 Zandelisib × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.8；283.15 K；10% PEG 4000, 100 mM KCl, 1 mM TCEP neutral pH, 10 mM CaCl2, 100 mM MES pH 5.8
Resolution 2.50 Å R-free 0.278

27 other PDB entries and 36 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name P85A_BOVIN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 3–86； UniProt 1–84

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 2pni

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2pni
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2pni
Deposition date deposition_date1993-07-19
Structure title titleSOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE SH3 DOMAIN OF THE P85ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL 3-KINASE
Keywords keywordsPHOSPHOTRANSFERASE; PHOSPHOTRANSFERASE
Experimental Method methodSOLUTION NMR
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier13.03 Å
Radius of gyration Rg (electron density) rg_electron12.81 Å
Forward intensity I(0) i0905641000.00
Molecular weight molecular_weight250450.0 kDa
Excluded volume excluded_volume310600 ų
Envelope volume envelope_volume26609 ų
Hydration-shell volume shell_volume14459 ų
Envelope diameter envelope_diameter51.0 Å
Shell Rg shell_rg21.41 Å
Envelope Rg envelope_rg15.98 Å
Shape Rg shape_rg12.73 Å
Total Rg total_rg13.20 Å
Total atoms total_atoms34502
Residues n_residues2184
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax44.7 Å
Rg (real space) rg_real12.96 Å
Rg uncertainty (real space) rg_real_error0.35 Å
I(0) (real space) i0_real9.0560e+08
I(0) uncertainty (real space) i0_real_error1.0560e+07
Rg (reciprocal space) rg_reciprocal12.97 Å
I(0) (reciprocal space) i0_reciprocal905600000.0000
Solution quality estimate total_estimate0.6288
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary15.3 Å
Skewness Skewness skewness0.205
Kurtosis Kurtosis kurtosis-0.241
Angular range angular_range— – 0.5000 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha292100.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.692; Stabil: 0.997; Sysdev: 0.368; Positv: 1.000; Valcen: 0.999; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (1)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd2pnia_
Class classb — All beta proteins
Fold Fold foldb.34 — SH3-like barrel
Superfamily Superfamily superfamilyb.34.2 — SH3-domain
Family Family familyb.34.2.1 — SH3-domain

CATH v4.4 (1 domains)

Domain ID domain_id2pniA00
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily40 — SH3 Domains
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8. Citations (1)

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9. Files and Curves (10)