ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Dual specificity protein kinase CLK1

Intramolecular
Cysteine 151 and cysteine 178
Cysteine 151 and cysteine 238
Cysteine 178 and cysteine 238
A redox-regulated disulphide may form within Dual specificity protein kinase CLK1 between cysteines 151 and 178. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
7ak3
Structure name
clk1 bound with caf052
Structure deposition date
2020-09-29
Thiol separation (Å)
8
Half-sphere exposure sum ?
67
Minimum pKa ?
9
% buried
52
Peptide accession
P49759
Residue number A
151
Residue number B
178
Peptide name
Dual specificity protein kinase CLK1

Ligandability

Cysteine 151 of Dual specificity protein kinase CLK1

Cysteine 178 of Dual specificity protein kinase CLK1

A redox-regulated disulphide may form within Dual specificity protein kinase CLK1 between cysteines 151 and 238. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
6i5k
Structure name
crystal structure of clk1 in complexed with furo[3,2-b]pyridine compound vn345 (derivative of compound 12h)
Structure deposition date
2018-11-13
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
8
% buried
54
Peptide accession
P49759
Residue number A
151
Residue number B
238
Peptide name
Dual specificity protein kinase CLK1

Ligandability

Cysteine 151 of Dual specificity protein kinase CLK1

Cysteine 238 of Dual specificity protein kinase CLK1

A redox-regulated disulphide may form within Dual specificity protein kinase CLK1 between cysteines 178 and 238. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
7ak3
Structure name
clk1 bound with caf052
Structure deposition date
2020-09-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
12
% buried
75
Peptide accession
P49759
Residue number A
178
Residue number B
238
Peptide name
Dual specificity protein kinase CLK1

Ligandability

Cysteine 178 of Dual specificity protein kinase CLK1

Cysteine 238 of Dual specificity protein kinase CLK1

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