ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Tyrosine-protein kinase JAK3

Intramolecular
Cysteine 909 and cysteine 1024 L
Cysteine 1024 and cysteine 1028
Cysteine 934 and cysteine 1077 L
A redox-regulated disulphide may form within Tyrosine-protein kinase JAK3 between cysteines 909 and 1024. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
7apg
Structure name
crystal structure of jak3 in complex with fm587 (compound 9a)
Structure deposition date
2020-10-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
65
Minimum pKa ?
11
% buried
77
Peptide accession
P52333
Residue number A
909
Residue number B
1024
Peptide name
Tyrosine-protein kinase JAK3

Ligandability

Cysteine 909 of Tyrosine-protein kinase JAK3

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.

Cysteine 1024 of Tyrosine-protein kinase JAK3

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 Tyrosine-protein kinase JAK3 between cysteines 1024 and 1028. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
4v0g
Structure name
jak3 in complex with a covalent egfr inhibitor
Structure deposition date
2014-09-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
56
Minimum pKa ?
9
% buried
58
Peptide accession
P52333
Residue number A
1024
Residue number B
1028
Peptide name
Tyrosine-protein kinase JAK3

Ligandability

Cysteine 1024 of Tyrosine-protein kinase JAK3

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 1028 of Tyrosine-protein kinase JAK3

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 Tyrosine-protein kinase JAK3 between cysteines 934 and 1077. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
4hvg
Structure name
jak3 kinase domain in complex with 2-cyclopropyl-5h-pyrrolo[2,3- b]pyrazine-7-carboxylic acid ((s)-2-hydroxy-1,2-dimethyl-propyl)- amide
Structure deposition date
2012-11-06
Thiol separation (Å)
8
Half-sphere exposure sum ?
80
Minimum pKa ?
12
% buried
90
Peptide accession
P52333
Residue number A
934
Residue number B
1077
Peptide name
Tyrosine-protein kinase JAK3

Ligandability

Cysteine 934 of Tyrosine-protein kinase JAK3

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.

Cysteine 1077 of Tyrosine-protein kinase JAK3

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.

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