ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Non-receptor tyrosine-protein kinase TYK2

Intramolecular
Cysteine 808 and cysteine 838 L
Cysteine 291 and cysteine 392
Cysteine 1140 and cysteine 1142 L
Cysteine 550 and cysteine 551
Cysteine 291 and cysteine 402
Cysteine 965 and cysteine 966 L
Cysteine 1069 and cysteine 1073
Cysteine 1005 and cysteine 1148 L
A redox-regulated disulphide may form within Non-receptor tyrosine-protein kinase TYK2 between cysteines 808 and 838.

Details

Redox score ?
83
PDB code
4wov
Structure name
crystal structure of tyrosine kinase 2 jh2 (pseudo kinase domain) complexed with bms-066 aka 2-methoxy-n-({6-[3-methyl-7-(methylamino)- 3,5,8,10-tetraazatricyclo[7
Structure deposition date
2014-10-16
Thiol separation (Å)
3
Half-sphere exposure sum ?
66
Minimum pKa ?
7
% buried
59
Peptide accession
P29597
Residue number A
808
Residue number B
838
Peptide name
Non-receptor tyrosine-protein kinase TYK2

Ligandability

Cysteine 808 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 838 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Non-receptor tyrosine-protein kinase TYK2 between cysteines 291 and 392.

Details

Redox score ?
79
PDB code
4po6
Structure name
crystal structure of the human tyk2 ferm and sh2 domains with an ifnar1 intracellular peptide
Structure deposition date
2014-02-25
Thiol separation (Å)
3
Half-sphere exposure sum ?
60
Minimum pKa ?
9
% buried
51
Peptide accession
P29597
Residue number A
291
Residue number B
392
Peptide name
Non-receptor tyrosine-protein kinase TYK2

Ligandability

Cysteine 291 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 392 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Non-receptor tyrosine-protein kinase TYK2 between cysteines 1140 and 1142. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
3nz0
Structure name
non-phosphorylated tyk2 kinase with cmp6
Structure deposition date
2010-07-15
Thiol separation (Å)
8
Half-sphere exposure sum ?
41
Minimum pKa ?
9
% buried
26
Peptide accession
P29597
Residue number A
1140
Residue number B
1142
Peptide name
Non-receptor tyrosine-protein kinase TYK2

Ligandability

Cysteine 1140 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

Cysteine 1142 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Non-receptor tyrosine-protein kinase TYK2 between cysteines 550 and 551. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
4po6
Structure name
crystal structure of the human tyk2 ferm and sh2 domains with an ifnar1 intracellular peptide
Structure deposition date
2014-02-25
Thiol separation (Å)
7
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
63
Peptide accession
P29597
Residue number A
550
Residue number B
551
Peptide name
Non-receptor tyrosine-protein kinase TYK2

Ligandability

Cysteine 550 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 551 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Non-receptor tyrosine-protein kinase TYK2 between cysteines 291 and 402. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
4po6
Structure name
crystal structure of the human tyk2 ferm and sh2 domains with an ifnar1 intracellular peptide
Structure deposition date
2014-02-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
11
% buried
48
Peptide accession
P29597
Residue number A
291
Residue number B
402
Peptide name
Non-receptor tyrosine-protein kinase TYK2

Ligandability

Cysteine 291 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 402 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Non-receptor tyrosine-protein kinase TYK2 between cysteines 965 and 966. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
4oli
Structure name
the pseudokinase/kinase protein from jak-family member tyk2
Structure deposition date
2014-01-23
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
42
Peptide accession
P29597
Residue number A
965
Residue number B
966
Peptide name
Non-receptor tyrosine-protein kinase TYK2

Ligandability

Cysteine 965 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

Cysteine 966 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Non-receptor tyrosine-protein kinase TYK2 between cysteines 1069 and 1073 (1068 and 1072 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
4e1z
Structure name
structure of mouse tyk-2 complexed to a 3-aminoindazole inhibitor
Structure deposition date
2012-03-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
56
Peptide accession
Q9R117
Residue number A
1069
Residue number B
1073
Peptide name
Non-receptor tyrosine-protein kinase TYK2

Ligandability

Cysteine 1069 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 1073 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Non-receptor tyrosine-protein kinase TYK2 between cysteines 1005 and 1148 (1004 and 1147 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
4e20
Structure name
structure of mouse tyk-2 complexed to a 3-aminoindazole inhibitor
Structure deposition date
2012-03-07
Thiol separation (Å)
7
Half-sphere exposure sum ?
83
Minimum pKa ?
12
% buried
100
Peptide accession
Q9R117
Residue number A
1005
Residue number B
1148
Peptide name
Non-receptor tyrosine-protein kinase TYK2

Ligandability

Cysteine 1005 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 1148 of Non-receptor tyrosine-protein kinase TYK2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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