Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Intramolecular
Cysteine 879 and cysteine 883
Cysteine 882 and cysteine 959
Cysteine 257 and cysteine 263
Cysteine 745 and cysteine 749
Cysteine 144 and cysteine 147
Cysteine 263 and cysteine 265
Cysteine 878 and cysteine 959
Cysteine 590 and cysteine 627
Cysteine 569 and cysteine 590
Cysteine 147 and cysteine 672
Cysteine 144 and cysteine 672
6pyr A 879 A 883
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform between cysteines 879 and 883.
Details
Redox score ?
66
PDB code
6pyr
Structure name
human pi3kdelta in complex with compound 2-10 ((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)
Structure deposition date
2019-07-30
Thiol separation (Å)
4
Half-sphere exposure sum ?
83
Minimum pKa ?
9
% buried
100
Peptide accession
O00329
Residue number A
879
Residue number B
883
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Ligandability
Cysteine 879 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cysteine 883 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
5t2d A 883 A 960
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform between cysteines 882 and 959 (883 and 960 respectively in this structure).
Details
Redox score ?
61
PDB code
5t2d
Structure name
mpi3kd in complex with 7j
Structure deposition date
2016-08-23
Thiol separation (Å)
5
Half-sphere exposure sum ?
80
Minimum pKa ?
9
% buried
100
Peptide accession
O35904
Residue number A
882
Residue number B
959
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Ligandability
Cysteine 882 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cysteine 959 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
5ubt A 257 A 263
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform between cysteines 257 and 263.
Details
Redox score ?
60
PDB code
5ubt
Structure name
crystal structure of pi3k delta in complex with a 7-(3-(piperazin-1- yl)phenyl)pyrrolo[2,1-f][1,2,4] triazin-4-amine deriviatine
Structure deposition date
2016-12-21
Thiol separation (Å)
6
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
26
Peptide accession
O00329
Residue number A
257
Residue number B
263
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Ligandability
Cysteine 257 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cysteine 263 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
5t8f A 745 A 749
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform between cysteines 745 and 749. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
59
PDB code
5t8f
Structure name
p110delta/p85alpha with taselisib (gdc-0032)
Structure deposition date
2016-09-07
Thiol separation (Å)
7
Half-sphere exposure sum ?
59
Minimum pKa ?
9
% buried
46
Peptide accession
O00329
Residue number A
745
Residue number B
749
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Ligandability
Cysteine 745 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cysteine 749 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
6oco A 144 A 147
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform between cysteines 144 and 147. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
49
PDB code
6oco
Structure name
human pi3kdelta in complex with compound 6
Structure deposition date
2019-03-25
Thiol separation (Å)
7
Half-sphere exposure sum ?
65
Minimum pKa ?
11
% buried
82
Peptide accession
O00329
Residue number A
144
Residue number B
147
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Ligandability
Cysteine 144 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cysteine 147 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
5m6u A 263 A 265
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform between cysteines 263 and 265. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
44
PDB code
5m6u
Structure name
human pi3kdelta in complex with lasw1579
Structure deposition date
2016-10-26
Thiol separation (Å)
9
Half-sphere exposure sum ?
51
Minimum pKa ?
10
% buried
23
Peptide accession
O00329
Residue number A
263
Residue number B
265
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Ligandability
Cysteine 263 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cysteine 265 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
4v0i A 879 A 960
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform between cysteines 878 and 959 (879 and 960 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
39
PDB code
4v0i
Structure name
water network determines selectivity for a series of pyrimidone indoline amide pi3kbeta inhibitors over pi3k-delta
Structure deposition date
2014-09-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
79
Minimum pKa ?
14
% buried
100
Peptide accession
O35904
Residue number A
878
Residue number B
959
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Ligandability
Cysteine 878 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cysteine 959 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
7lq1 A 590 A 627
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform between cysteines 590 and 627. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
37
PDB code
7lq1
Structure name
human pi3kdelta in complex with compound 28
Structure deposition date
2021-02-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
63
Minimum pKa ?
11
% buried
89
Peptide accession
O00329
Residue number A
590
Residue number B
627
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Ligandability
Cysteine 590 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cysteine 627 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
7jis A 569 A 590
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform between cysteines 569 and 590. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
34
PDB code
7jis
Structure name
human pi3kdelta in complex with compound 2f
Structure deposition date
2020-07-23
Thiol separation (Å)
10
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
71
Peptide accession
O00329
Residue number A
569
Residue number B
590
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Ligandability
Cysteine 569 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cysteine 590 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
7jis A 147 A 672
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform between cysteines 147 and 672. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
28
PDB code
7jis
Structure name
human pi3kdelta in complex with compound 2f
Structure deposition date
2020-07-23
Thiol separation (Å)
10
Half-sphere exposure sum ?
80
Minimum pKa ?
13
% buried
92
Peptide accession
O00329
Residue number A
147
Residue number B
672
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Ligandability
Cysteine 147 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cysteine 672 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
7lq1 A 144 A 672
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform between cysteines 144 and 672. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
27
PDB code
7lq1
Structure name
human pi3kdelta in complex with compound 28
Structure deposition date
2021-02-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
93
Peptide accession
O00329
Residue number A
144
Residue number B
672
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Ligandability
Cysteine 144 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cysteine 672 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
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