ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Protein-tyrosine kinase 2-beta

Intramolecular
Cysteine 459 and cysteine 463
Cysteine 534 and cysteine 677
Cysteine 534 and cysteine 661
A redox-regulated disulphide may form within Protein-tyrosine kinase 2-beta between cysteines 459 and 463.

Details

Redox score ?
85
PDB code
3h3c
Structure name
crystal structure of pyk2 in complex with sulfoximine- substituted trifluoromethylpyrimidine analog
Structure deposition date
2009-04-16
Thiol separation (Å)
3
Half-sphere exposure sum ?
50
Minimum pKa ?
9
% buried
12
Peptide accession
Q14289
Residue number A
459
Residue number B
463
Peptide name
Protein-tyrosine kinase 2-beta

Ligandability

Cysteine 459 of Protein-tyrosine kinase 2-beta

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 463 of Protein-tyrosine kinase 2-beta

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 Protein-tyrosine kinase 2-beta between cysteines 534 and 677. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
3fzs
Structure name
crystal structure of pyk2 complexed with birb796
Structure deposition date
2009-01-26
Thiol separation (Å)
9
Half-sphere exposure sum ?
61
Minimum pKa ?
9
% buried
50
Peptide accession
Q14289
Residue number A
534
Residue number B
677
Peptide name
Protein-tyrosine kinase 2-beta

Ligandability

Cysteine 534 of Protein-tyrosine kinase 2-beta

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 677 of Protein-tyrosine kinase 2-beta

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 Protein-tyrosine kinase 2-beta between cysteines 534 and 661. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
3fzs
Structure name
crystal structure of pyk2 complexed with birb796
Structure deposition date
2009-01-26
Thiol separation (Å)
8
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
100
Peptide accession
Q14289
Residue number A
534
Residue number B
661
Peptide name
Protein-tyrosine kinase 2-beta

Ligandability

Cysteine 534 of Protein-tyrosine kinase 2-beta

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 661 of Protein-tyrosine kinase 2-beta

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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