ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Alpha-N-acetylgalactosaminidase

Intramolecular
Cysteine 42 and cysteine 49
Cysteine 38 and cysteine 80
Cysteine 127 and cysteine 158
Cysteine 187 and cysteine 209
Cysteine 80 and cysteine 127
A redox-regulated disulphide may form within Alpha-N-acetylgalactosaminidase between cysteines 42 and 49.

Details

Redox score ?
85
PDB code
3igu
Structure name
crystal structure of human alpha-n-acetylgalactosaminidase, covalent intermediate
Structure deposition date
2009-07-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17050
Residue number A
42
Residue number B
49
Peptide name
Alpha-N-acetylgalactosaminidase

Ligandability

Cysteine 42 of Alpha-N-acetylgalactosaminidase

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 49 of Alpha-N-acetylgalactosaminidase

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 Alpha-N-acetylgalactosaminidase between cysteines 38 and 80.

Details

Redox score ?
80
PDB code
3h55
Structure name
crystal structure of human alpha-n-acetylgalactosaminidase, complex with galactose
Structure deposition date
2009-04-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17050
Residue number A
38
Residue number B
80
Peptide name
Alpha-N-acetylgalactosaminidase

Ligandability

Cysteine 38 of Alpha-N-acetylgalactosaminidase

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 80 of Alpha-N-acetylgalactosaminidase

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 Alpha-N-acetylgalactosaminidase between cysteines 127 and 158.

Details

Redox score ?
79
PDB code
3h54
Structure name
crystal structure of human alpha-n-acetylgalactosaminidase,complex with galnac
Structure deposition date
2009-04-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17050
Residue number A
127
Residue number B
158
Peptide name
Alpha-N-acetylgalactosaminidase

Ligandability

Cysteine 127 of Alpha-N-acetylgalactosaminidase

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 158 of Alpha-N-acetylgalactosaminidase

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 Alpha-N-acetylgalactosaminidase between cysteines 187 and 209.

Details

Redox score ?
78
PDB code
3h53
Structure name
crystal structure of human alpha-n-acetylgalactosaminidase
Structure deposition date
2009-04-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
90
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17050
Residue number A
187
Residue number B
209
Peptide name
Alpha-N-acetylgalactosaminidase

Ligandability

Cysteine 187 of Alpha-N-acetylgalactosaminidase

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 209 of Alpha-N-acetylgalactosaminidase

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 Alpha-N-acetylgalactosaminidase between cysteines 80 and 127. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
3h55
Structure name
crystal structure of human alpha-n-acetylgalactosaminidase, complex with galactose
Structure deposition date
2009-04-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17050
Residue number A
80
Residue number B
127
Peptide name
Alpha-N-acetylgalactosaminidase

Ligandability

Cysteine 80 of Alpha-N-acetylgalactosaminidase

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 Alpha-N-acetylgalactosaminidase

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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