ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Dual specificity protein kinase TTK

Intramolecular
Cysteine 770 and cysteine 771
Cysteine 722 and cysteine 771
A redox-regulated disulphide may form within Dual specificity protein kinase TTK between cysteines 770 and 771. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
4bi1
Structure name
scaffold focused virtual screening: prospective application to the discovery of ttk inhibitor
Structure deposition date
2013-04-09
Thiol separation (Å)
7
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
70
Peptide accession
P33981
Residue number A
770
Residue number B
771
Peptide name
Dual specificity protein kinase TTK

Ligandability

Cysteine 770 of Dual specificity protein kinase TTK

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 771 of Dual specificity protein kinase TTK

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 Dual specificity protein kinase TTK between cysteines 722 and 771. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
5ljj
Structure name
crystal structure of human mps1 (ttk) in complex with reversine
Structure deposition date
2016-07-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
13
% buried
100
Peptide accession
P33981
Residue number A
722
Residue number B
771
Peptide name
Dual specificity protein kinase TTK

Ligandability

Cysteine 722 of Dual specificity protein kinase TTK

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 771 of Dual specificity protein kinase TTK

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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