ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Tyrosine-protein kinase

Intramolecular
Cysteine 1115 and cysteine 1119
Cysteine 445 and cysteine 469
Cysteine 542 and cysteine 543
Cysteine 1051 and cysteine 1055
Cysteine 786 and cysteine 816
Cysteine 751 and cysteine 762
Cysteine 440 and cysteine 542
Cysteine 891 and cysteine 943
Cysteine 61 and cysteine 68
Cysteine 987 and cysteine 1130
A redox-regulated disulphide may form within Tyrosine-protein kinase between cysteines 1115 and 1119.

Details

Redox score ?
66
PDB code
7t6f
Structure name
structure of active janus kinase (jak) dimer complexed with cytokine receptor intracellular domain
Structure deposition date
2021-12-13
Thiol separation (Å)
6
Half-sphere exposure sum ?
46
Minimum pKa ?
9
% buried
13
Peptide accession
B1ASP2
Residue number A
1115
Residue number B
1119
Peptide name
Tyrosine-protein kinase

Ligandability

Cysteine 1115 of Tyrosine-protein kinase

Cysteine 1119 of Tyrosine-protein kinase

A redox-regulated disulphide may form within Tyrosine-protein kinase between cysteines 445 and 469. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
7t6f
Structure name
structure of active janus kinase (jak) dimer complexed with cytokine receptor intracellular domain
Structure deposition date
2021-12-13
Thiol separation (Å)
7
Half-sphere exposure sum ?
59
Minimum pKa ?
9
% buried
48
Peptide accession
B1ASP2
Residue number A
445
Residue number B
469
Peptide name
Tyrosine-protein kinase

Ligandability

Cysteine 445 of Tyrosine-protein kinase

Cysteine 469 of Tyrosine-protein kinase

A redox-regulated disulphide may form within Tyrosine-protein kinase between cysteines 542 and 543. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
7t6f
Structure name
structure of active janus kinase (jak) dimer complexed with cytokine receptor intracellular domain
Structure deposition date
2021-12-13
Thiol separation (Å)
6
Half-sphere exposure sum ?
68
Minimum pKa ?
10
% buried
66
Peptide accession
B1ASP2
Residue number A
542
Residue number B
543
Peptide name
Tyrosine-protein kinase

Ligandability

Cysteine 542 of Tyrosine-protein kinase

Cysteine 543 of Tyrosine-protein kinase

A redox-regulated disulphide may form within Tyrosine-protein kinase between cysteines 1051 and 1055. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
7t6f
Structure name
structure of active janus kinase (jak) dimer complexed with cytokine receptor intracellular domain
Structure deposition date
2021-12-13
Thiol separation (Å)
8
Half-sphere exposure sum ?
55
Minimum pKa ?
9
% buried
30
Peptide accession
B1ASP2
Residue number A
1051
Residue number B
1055
Peptide name
Tyrosine-protein kinase

Ligandability

Cysteine 1051 of Tyrosine-protein kinase

Cysteine 1055 of Tyrosine-protein kinase

A redox-regulated disulphide may form within Tyrosine-protein kinase between cysteines 786 and 816. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7t6f
Structure name
structure of active janus kinase (jak) dimer complexed with cytokine receptor intracellular domain
Structure deposition date
2021-12-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
49
Minimum pKa ?
8
% buried
36
Peptide accession
B1ASP2
Residue number A
786
Residue number B
816
Peptide name
Tyrosine-protein kinase

Ligandability

Cysteine 786 of Tyrosine-protein kinase

Cysteine 816 of Tyrosine-protein kinase

A redox-regulated disulphide may form within Tyrosine-protein kinase between cysteines 751 and 762. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
7t6f
Structure name
structure of active janus kinase (jak) dimer complexed with cytokine receptor intracellular domain
Structure deposition date
2021-12-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
36
Peptide accession
B1ASP2
Residue number A
751
Residue number B
762
Peptide name
Tyrosine-protein kinase

Ligandability

Cysteine 751 of Tyrosine-protein kinase

Cysteine 762 of Tyrosine-protein kinase

A redox-regulated disulphide may form within Tyrosine-protein kinase between cysteines 440 and 542. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7t6f
Structure name
structure of active janus kinase (jak) dimer complexed with cytokine receptor intracellular domain
Structure deposition date
2021-12-13
Thiol separation (Å)
8
Half-sphere exposure sum ?
67
Minimum pKa ?
11
% buried
82
Peptide accession
B1ASP2
Residue number A
440
Residue number B
542
Peptide name
Tyrosine-protein kinase

Ligandability

Cysteine 440 of Tyrosine-protein kinase

Cysteine 542 of Tyrosine-protein kinase

A redox-regulated disulphide may form within Tyrosine-protein kinase between cysteines 891 and 943. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
7t6f
Structure name
structure of active janus kinase (jak) dimer complexed with cytokine receptor intracellular domain
Structure deposition date
2021-12-13
Thiol separation (Å)
10
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
39
Peptide accession
B1ASP2
Residue number A
891
Residue number B
943
Peptide name
Tyrosine-protein kinase

Ligandability

Cysteine 891 of Tyrosine-protein kinase

Cysteine 943 of Tyrosine-protein kinase

A redox-regulated disulphide may form within Tyrosine-protein kinase between cysteines 61 and 68. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7t6f
Structure name
structure of active janus kinase (jak) dimer complexed with cytokine receptor intracellular domain
Structure deposition date
2021-12-13
Thiol separation (Å)
10
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
74
Peptide accession
B1ASP2
Residue number A
61
Residue number B
68
Peptide name
Tyrosine-protein kinase

Ligandability

Cysteine 61 of Tyrosine-protein kinase

Cysteine 68 of Tyrosine-protein kinase

A redox-regulated disulphide may form within Tyrosine-protein kinase between cysteines 987 and 1130. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
7t6f
Structure name
structure of active janus kinase (jak) dimer complexed with cytokine receptor intracellular domain
Structure deposition date
2021-12-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
82
Peptide accession
B1ASP2
Residue number A
987
Residue number B
1130
Peptide name
Tyrosine-protein kinase

Ligandability

Cysteine 987 of Tyrosine-protein kinase

Cysteine 1130 of Tyrosine-protein kinase

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