Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Intramolecular
Cysteine 901 and cysteine 905
Cysteine 692 and cysteine 695
Cysteine 24 and cysteine 36
Cysteine 905 and cysteine 984
Cysteine 301 and cysteine 695
Cysteine 36 and cysteine 90
Cysteine 340 and cysteine 472
Cysteine 535 and cysteine 558
Cysteine 901 and cysteine 984
Cysteine 407 and cysteine 420
More...Cysteine 255 and cysteine 257
Cysteine 257 and cysteine 276
Cysteine 255 and cysteine 276
Cysteine 403 and cysteine 407
Cysteine 368 and cysteine 403
Cysteine 147 and cysteine 692
Cysteine 147 and cysteine 695
7mlk A 901 A 905
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 901 and 905.
Details
Redox score ?
63
PDB code
7mlk
Structure name
crystal structure of human pi3ka (p110a subunit) with mmv085400 bound to the active site determined at 2
Structure deposition date
2021-04-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
83
Minimum pKa ?
9
% buried
100
Peptide accession
P42336
Residue number A
901
Residue number B
905
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 901 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 905 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
3hiz A 692 A 695
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 692 and 695. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
56
PDB code
3hiz
Structure name
crystal structure of p110alpha h1047r mutant in complex with nish2 of p85alpha
Structure deposition date
2009-05-20
Thiol separation (Å)
5
Half-sphere exposure sum ?
89
Minimum pKa ?
11
% buried
100
Peptide accession
P42336
Residue number A
692
Residue number B
695
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 692 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 695 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
5dxh D 24 D 36
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 24 and 36. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
54
PDB code
5dxh
Structure name
p110alpha/p85alpha with compound 5
Structure deposition date
2015-09-23
Thiol separation (Å)
6
Half-sphere exposure sum ?
69
Minimum pKa ?
12
% buried
83
Peptide accession
P42336
Residue number A
24
Residue number B
36
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 24 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 36 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
4jps A 905 A 984
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 905 and 984. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
54
PDB code
4jps
Structure name
co-crystal structures of the lipid kinase pi3k alpha with pan and isoform selective inhibitors
Structure deposition date
2013-03-19
Thiol separation (Å)
4
Half-sphere exposure sum ?
83
Minimum pKa ?
14
% buried
100
Peptide accession
P42336
Residue number A
905
Residue number B
984
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 905 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 984 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
5dxh D 301 D 695
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 301 and 695. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
45
PDB code
5dxh
Structure name
p110alpha/p85alpha with compound 5
Structure deposition date
2015-09-23
Thiol separation (Å)
8
Half-sphere exposure sum ?
67
Minimum pKa ?
10
% buried
72
Peptide accession
P42336
Residue number A
301
Residue number B
695
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 301 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 695 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
7myn A 36 A 90
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 36 and 90. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
44
PDB code
7myn
Structure name
cryo-em structure of p110alpha in complex with p85alpha
Structure deposition date
2021-05-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
64
Minimum pKa ?
11
% buried
60
Peptide accession
P42336
Residue number A
36
Residue number B
90
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 36 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 90 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
5ubr A 340 A 472
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 340 and 472. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
44
PDB code
5ubr
Structure name
crystal structure of pi3k alpha 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)
8
Half-sphere exposure sum ?
67
Minimum pKa ?
10
% buried
17
Peptide accession
P42336
Residue number A
340
Residue number B
472
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 340 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 472 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
4a55 A 535 A 558
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 535 and 558. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
43
PDB code
4a55
Structure name
crystal structure of p110alpha in complex with ish2 of p85alpha and the inhibitor pik-108
Structure deposition date
2011-10-24
Thiol separation (Å)
9
Half-sphere exposure sum ?
56
Minimum pKa ?
11
% buried
52
Peptide accession
P42337
Residue number A
535
Residue number B
558
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 535 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 558 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
4a55 A 901 A 984
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 901 and 984. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
41
PDB code
4a55
Structure name
crystal structure of p110alpha in complex with ish2 of p85alpha and the inhibitor pik-108
Structure deposition date
2011-10-24
Thiol separation (Å)
7
Half-sphere exposure sum ?
74
Minimum pKa ?
13
% buried
100
Peptide accession
P42337
Residue number A
901
Residue number B
984
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 901 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 984 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
6gvf A 407 A 420
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 407 and 420. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
39
PDB code
6gvf
Structure name
crystal structure of pi3k alpha in complex with 3-(2-amino- benzooxazol-5-yl)-1-isopropyl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
Structure deposition date
2018-06-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
46
Peptide accession
P42336
Residue number A
407
Residue number B
420
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 407 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 420 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
4a55 A 255 A 257
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 255 and 257. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
34
PDB code
4a55
Structure name
crystal structure of p110alpha in complex with ish2 of p85alpha and the inhibitor pik-108
Structure deposition date
2011-10-24
Thiol separation (Å)
9
Half-sphere exposure sum ?
74
Minimum pKa ?
12
% buried
82
Peptide accession
P42337
Residue number A
255
Residue number B
257
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 255 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 257 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
5swg A 257 A 276
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 257 and 276. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
32
PDB code
5swg
Structure name
crystal structure of pi3kalpha in complex with fragments 5 and 21
Structure deposition date
2016-08-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
60
Minimum pKa ?
11
% buried
80
Peptide accession
P42336
Residue number A
257
Residue number B
276
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 257 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 276 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
5sxb A 255 A 276
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 255 and 276. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
31
PDB code
5sxb
Structure name
crystal structure of pi3kalpha in complex with fragment 23
Structure deposition date
2016-08-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
64
Minimum pKa ?
11
% buried
79
Peptide accession
P42336
Residue number A
255
Residue number B
276
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 255 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 276 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
7myo A 403 A 407
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 403 and 407. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
31
PDB code
7myo
Structure name
cryo-em structure of p110alpha in complex with p85alpha inhibited by byl-719
Structure deposition date
2021-05-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
88
Minimum pKa ?
11
% buried
100
Peptide accession
P42336
Residue number A
403
Residue number B
407
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 403 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 407 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
8gud A 368 A 403
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 368 and 403. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
31
PDB code
8gud
Structure name
cryo-em structure of cancer-specific pi3kalpha mutant e545k in complex with byl-719
Structure deposition date
2022-09-11
Thiol separation (Å)
10
Half-sphere exposure sum ?
72
Minimum pKa ?
11
% buried
83
Peptide accession
P42336
Residue number A
368
Residue number B
403
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 368 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 403 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
8dcx A 147 A 692
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 147 and 692. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
30
PDB code
8dcx
Structure name
pi 3-kinase alpha with nanobody 3-159
Structure deposition date
2022-06-17
Thiol separation (Å)
10
Half-sphere exposure sum ?
84
Minimum pKa ?
12
% buried
100
Peptide accession
P42336
Residue number A
147
Residue number B
692
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 147 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 692 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
4l2y A 147 A 695
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform between cysteines 147 and 695. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
28
PDB code
4l2y
Structure name
crystal structure of p110alpha complexed with nish2 of p85alpha and compound 9d
Structure deposition date
2013-06-05
Thiol separation (Å)
10
Half-sphere exposure sum ?
83
Minimum pKa ?
12
% buried
98
Peptide accession
P42336
Residue number A
147
Residue number B
695
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Ligandability
Cysteine 147 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cysteine 695 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
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