Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Intramolecular
Cysteine 899 and cysteine 903
Cysteine 903 and cysteine 980
Cysteine 280 and cysteine 281
Cysteine 238 and cysteine 280
Cysteine 979 and cysteine 980
Cysteine 899 and cysteine 980
Cysteine 899 and cysteine 979
4bfr B 899 B 903
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform between cysteines 899 and 903.
Details
Redox score ?
65
PDB code
4bfr
Structure name
discovery and optimization of pyrimidone indoline amide pi3kbeta inhibitors for the treatment of phosphatase and tensin homologue (pten)-deficient cancers
Structure deposition date
2013-03-22
Thiol separation (Å)
4
Half-sphere exposure sum ?
86
Minimum pKa ?
9
% buried
100
Peptide accession
Q8BTI9
Residue number A
899
Residue number B
903
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Ligandability
Cysteine 899 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cysteine 903 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
4bfr A 903 A 980
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform between cysteines 903 and 980. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
56
PDB code
4bfr
Structure name
discovery and optimization of pyrimidone indoline amide pi3kbeta inhibitors for the treatment of phosphatase and tensin homologue (pten)-deficient cancers
Structure deposition date
2013-03-22
Thiol separation (Å)
6
Half-sphere exposure sum ?
82
Minimum pKa ?
9
% buried
100
Peptide accession
Q8BTI9
Residue number A
903
Residue number B
980
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Ligandability
Cysteine 903 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cysteine 980 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
4bfr A 280 A 281
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform between cysteines 280 and 281. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
53
PDB code
4bfr
Structure name
discovery and optimization of pyrimidone indoline amide pi3kbeta inhibitors for the treatment of phosphatase and tensin homologue (pten)-deficient cancers
Structure deposition date
2013-03-22
Thiol separation (Å)
8
Half-sphere exposure sum ?
39
Minimum pKa ?
10
% buried
16
Peptide accession
Q8BTI9
Residue number A
280
Residue number B
281
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Ligandability
Cysteine 280 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cysteine 281 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
4bfr A 238 A 280
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform between cysteines 238 and 280. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
50
PDB code
4bfr
Structure name
discovery and optimization of pyrimidone indoline amide pi3kbeta inhibitors for the treatment of phosphatase and tensin homologue (pten)-deficient cancers
Structure deposition date
2013-03-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
43
Minimum pKa ?
9
% buried
16
Peptide accession
Q8BTI9
Residue number A
238
Residue number B
280
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Ligandability
Cysteine 238 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cysteine 280 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
4bfr A 979 A 980
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform between cysteines 979 and 980. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
47
PDB code
4bfr
Structure name
discovery and optimization of pyrimidone indoline amide pi3kbeta inhibitors for the treatment of phosphatase and tensin homologue (pten)-deficient cancers
Structure deposition date
2013-03-22
Thiol separation (Å)
6
Half-sphere exposure sum ?
76
Minimum pKa ?
12
% buried
98
Peptide accession
Q8BTI9
Residue number A
979
Residue number B
980
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Ligandability
Cysteine 979 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cysteine 980 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
4bfr A 899 A 980
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform between cysteines 899 and 980. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
37
PDB code
4bfr
Structure name
discovery and optimization of pyrimidone indoline amide pi3kbeta inhibitors for the treatment of phosphatase and tensin homologue (pten)-deficient cancers
Structure deposition date
2013-03-22
Thiol separation (Å)
7
Half-sphere exposure sum ?
83
Minimum pKa ?
15
% buried
100
Peptide accession
Q8BTI9
Residue number A
899
Residue number B
980
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Ligandability
Cysteine 899 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cysteine 980 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
4bfr A 899 A 979
A redox-regulated disulphide may form within Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform between cysteines 899 and 979. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
26
PDB code
4bfr
Structure name
discovery and optimization of pyrimidone indoline amide pi3kbeta inhibitors for the treatment of phosphatase and tensin homologue (pten)-deficient cancers
Structure deposition date
2013-03-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
79
Minimum pKa ?
12
% buried
98
Peptide accession
Q8BTI9
Residue number A
899
Residue number B
979
Peptide name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Ligandability
Cysteine 899 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cysteine 979 of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
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