ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Intramolecular
Cysteine 902 and cysteine 908
Cysteine 1240 and cysteine 1316
Cysteine 1236 and cysteine 1240
Cysteine 1316 and cysteine 1317
Cysteine 1239 and cysteine 1240
Cysteine 1524 and cysteine 1528
Cysteine 1236 and cysteine 1239
Cysteine 1236 and cysteine 1316
Cysteine 1239 and cysteine 1316
A redox-regulated disulphide may form within Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha between cysteines 902 and 908 (520 and 526 respectively in this structure).

Details

Redox score ?
74
PDB code
7bi4
Structure name
pi3kc2a core apo
Structure deposition date
2021-01-12
Thiol separation (Å)
4
Half-sphere exposure sum ?
65
Minimum pKa ?
8
% buried
73
Peptide accession
Q61194
Residue number A
902
Residue number B
908
Peptide name
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Ligandability

Cysteine 902 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Cysteine 908 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

A redox-regulated disulphide may form within Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha between cysteines 1240 and 1316 (858 and 934 respectively in this structure).

Details

Redox score ?
60
PDB code
7bi2
Structure name
pi3kc2adeltan and deltac-c2
Structure deposition date
2021-01-12
Thiol separation (Å)
4
Half-sphere exposure sum ?
81
Minimum pKa ?
10
% buried
100
Peptide accession
Q61194
Residue number A
1240
Residue number B
1316
Peptide name
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Ligandability

Cysteine 1240 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Cysteine 1316 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

A redox-regulated disulphide may form within Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha between cysteines 1236 and 1240 (854 and 858 respectively in this structure).

Details

Redox score ?
60
PDB code
7bi6
Structure name
pi3kc2a core in complex with atp
Structure deposition date
2021-01-12
Thiol separation (Å)
4
Half-sphere exposure sum ?
85
Minimum pKa ?
11
% buried
100
Peptide accession
Q61194
Residue number A
1236
Residue number B
1240
Peptide name
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Ligandability

Cysteine 1236 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Cysteine 1240 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

A redox-regulated disulphide may form within Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha between cysteines 1316 and 1317 (934 and 935 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
7bi2
Structure name
pi3kc2adeltan and deltac-c2
Structure deposition date
2021-01-12
Thiol separation (Å)
7
Half-sphere exposure sum ?
75
Minimum pKa ?
10
% buried
78
Peptide accession
Q61194
Residue number A
1316
Residue number B
1317
Peptide name
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Ligandability

Cysteine 1316 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Cysteine 1317 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

A redox-regulated disulphide may form within Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha between cysteines 1239 and 1240 (857 and 858 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
8a9i
Structure name
pi3kc2a core in complex with pitcoin1
Structure deposition date
2022-06-28
Thiol separation (Å)
7
Half-sphere exposure sum ?
90
Minimum pKa ?
11
% buried
100
Peptide accession
Q61194
Residue number A
1239
Residue number B
1240
Peptide name
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Ligandability

Cysteine 1239 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Cysteine 1240 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

A redox-regulated disulphide may form within Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha between cysteines 1524 and 1528. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
2iwl
Structure name
structure of the px domain of phosphoinositide 3-kinase-c2alpha
Structure deposition date
2006-07-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
49
Peptide accession
O00443
Residue number A
1524
Residue number B
1528
Peptide name
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Ligandability

Cysteine 1524 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Cysteine 1528 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

A redox-regulated disulphide may form within Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha between cysteines 1236 and 1239 (854 and 857 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
7bi4
Structure name
pi3kc2a core apo
Structure deposition date
2021-01-12
Thiol separation (Å)
7
Half-sphere exposure sum ?
91
Minimum pKa ?
13
% buried
100
Peptide accession
Q61194
Residue number A
1236
Residue number B
1239
Peptide name
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Ligandability

Cysteine 1236 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Cysteine 1239 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

A redox-regulated disulphide may form within Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha between cysteines 1236 and 1316 (854 and 934 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
8a9i
Structure name
pi3kc2a core in complex with pitcoin1
Structure deposition date
2022-06-28
Thiol separation (Å)
7
Half-sphere exposure sum ?
84
Minimum pKa ?
14
% buried
100
Peptide accession
Q61194
Residue number A
1236
Residue number B
1316
Peptide name
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Ligandability

Cysteine 1236 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Cysteine 1316 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

A redox-regulated disulphide may form within Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha between cysteines 1239 and 1316 (857 and 934 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
7bi2
Structure name
pi3kc2adeltan and deltac-c2
Structure deposition date
2021-01-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
85
Minimum pKa ?
10
% buried
100
Peptide accession
Q61194
Residue number A
1239
Residue number B
1316
Peptide name
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Ligandability

Cysteine 1239 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

Cysteine 1316 of Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha

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