ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Choline kinase alpha

Intramolecular
Cysteine 95 and cysteine 127
Cysteine 303 and cysteine 307
A redox-regulated disulphide may form within Choline kinase alpha between cysteines 95 and 127.

Details

Redox score ?
69
PDB code
7a04
Structure name
structure of human cka1 in complex with compound b
Structure deposition date
2020-08-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
88
Minimum pKa ?
9
% buried
99
Peptide accession
P35790
Residue number A
95
Residue number B
127
Peptide name
Choline kinase alpha

Ligandability

Cysteine 95 of Choline kinase alpha

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 127 of Choline kinase alpha

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 Choline kinase alpha between cysteines 303 and 307. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
26
PDB code
2ckp
Structure name
crystal structure of human choline kinase alpha-2 in complex with adp
Structure deposition date
2006-04-20
Thiol separation (Å)
9
Half-sphere exposure sum ?
80
Minimum pKa ?
14
% buried
100
Peptide accession
P35790
Residue number A
303
Residue number B
307
Peptide name
Choline kinase alpha

Ligandability

Cysteine 303 of Choline kinase alpha

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 307 of Choline kinase alpha

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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