ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Glucosylceramidase

Intramolecular
Cysteine 57 and cysteine 62
Cysteine 43 and cysteine 55
Cysteine 43 and cysteine 57
Cysteine 55 and cysteine 57
Cysteine 43 and cysteine 62
Cysteine 55 and cysteine 62
A redox-regulated disulphide may form within Glucosylceramidase between cysteines 57 and 62 (18 and 23 respectively in this structure).

Details

Redox score ?
84
PDB code
2wcg
Structure name
x-ray structure of acid-beta-glucosidase with n-octyl(cyclic guanidine)-nojirimycin in the active site
Structure deposition date
2009-03-12
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
B2R6A7
Residue number A
57
Residue number B
62
Peptide name
Glucosylceramidase

Ligandability

Cysteine 57 of Glucosylceramidase

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 62 of Glucosylceramidase

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 Glucosylceramidase between cysteines 43 and 55 (4 and 16 respectively in this structure).

Details

Redox score ?
83
PDB code
2wcg
Structure name
x-ray structure of acid-beta-glucosidase with n-octyl(cyclic guanidine)-nojirimycin in the active site
Structure deposition date
2009-03-12
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
B2R6A7
Residue number A
43
Residue number B
55
Peptide name
Glucosylceramidase

Ligandability

Cysteine 43 of Glucosylceramidase

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 55 of Glucosylceramidase

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 Glucosylceramidase between cysteines 43 and 57 (4 and 18 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
6q1p
Structure name
glucocerebrosidase in complex with pharmacological chaperone norimx8
Structure deposition date
2019-08-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
B2R6A7
Residue number A
43
Residue number B
57
Peptide name
Glucosylceramidase

Ligandability

Cysteine 43 of Glucosylceramidase

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 57 of Glucosylceramidase

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 Glucosylceramidase between cysteines 55 and 57 (16 and 18 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
6q1p
Structure name
glucocerebrosidase in complex with pharmacological chaperone norimx8
Structure deposition date
2019-08-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
B2R6A7
Residue number A
55
Residue number B
57
Peptide name
Glucosylceramidase

Ligandability

Cysteine 55 of Glucosylceramidase

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 57 of Glucosylceramidase

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 Glucosylceramidase between cysteines 43 and 62 (4 and 23 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
6q1n
Structure name
glucocerebrosidase in complex with pharmacological chaperone imx8
Structure deposition date
2019-08-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
B2R6A7
Residue number A
43
Residue number B
62
Peptide name
Glucosylceramidase

Ligandability

Cysteine 43 of Glucosylceramidase

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 62 of Glucosylceramidase

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 Glucosylceramidase between cysteines 55 and 62 (16 and 23 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
6t13
Structure name
crystal structure of glucocerebrosidase in complex with a pyrrolopyrazine
Structure deposition date
2019-10-03
Thiol separation (Å)
8
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
B2R6A7
Residue number A
55
Residue number B
62
Peptide name
Glucosylceramidase

Ligandability

Cysteine 55 of Glucosylceramidase

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 62 of Glucosylceramidase

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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