ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Glycogen synthase kinase-3 beta

Intramolecular
Cysteine 218 and cysteine 245
Cysteine 178 and cysteine 218
Cysteine 245 and cysteine 317
Cysteine 107 and cysteine 335
A redox-regulated disulphide may form within Glycogen synthase kinase-3 beta between cysteines 218 and 245. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
5air
Structure name
structural analysis of mouse gsk3beta fused with lrp6 peptide
Structure deposition date
2015-02-17
Thiol separation (Å)
8
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
100
Peptide accession
Q9WV60
Residue number A
218
Residue number B
245
Peptide name
Glycogen synthase kinase-3 beta

Ligandability

Cysteine 218 of Glycogen synthase kinase-3 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 245 of Glycogen synthase kinase-3 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 Glycogen synthase kinase-3 beta between cysteines 178 and 218. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
5air
Structure name
structural analysis of mouse gsk3beta fused with lrp6 peptide
Structure deposition date
2015-02-17
Thiol separation (Å)
8
Half-sphere exposure sum ?
77
Minimum pKa ?
12
% buried
100
Peptide accession
Q9WV60
Residue number A
178
Residue number B
218
Peptide name
Glycogen synthase kinase-3 beta

Ligandability

Cysteine 178 of Glycogen synthase kinase-3 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 218 of Glycogen synthase kinase-3 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 Glycogen synthase kinase-3 beta between cysteines 245 and 317. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
3q3b
Structure name
6-amino-4-(pyrimidin-4-yl)pyridones: novel glycogen synthase kinase-3 inhibitors
Structure deposition date
2010-12-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
81
Minimum pKa ?
13
% buried
100
Peptide accession
P49841
Residue number A
245
Residue number B
317
Peptide name
Glycogen synthase kinase-3 beta

Ligandability

Cysteine 245 of Glycogen synthase kinase-3 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 317 of Glycogen synthase kinase-3 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 Glycogen synthase kinase-3 beta between cysteines 107 and 335. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
6hk7
Structure name
crystal structure of gsk-3b in complex with pyrazine inhibitor c50
Structure deposition date
2018-09-05
Thiol separation (Å)
10
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
84
Peptide accession
P49841
Residue number A
107
Residue number B
335
Peptide name
Glycogen synthase kinase-3 beta

Ligandability

Cysteine 107 of Glycogen synthase kinase-3 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 335 of Glycogen synthase kinase-3 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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