ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Arylsulfatase B

Intramolecular
Cysteine 405 and cysteine 447
Cysteine 121 and cysteine 155
Cysteine 117 and cysteine 521
Cysteine 181 and cysteine 192
A redox-regulated disulphide may form within Arylsulfatase B between cysteines 405 and 447.

Details

Redox score ?
88
PDB code
1fsu
Structure name
crystal structure of 4-sulfatase (human)
Structure deposition date
1996-07-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P15848
Residue number A
405
Residue number B
447
Peptide name
Arylsulfatase B

Ligandability

Cysteine 405 of Arylsulfatase B

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 447 of Arylsulfatase B

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 Arylsulfatase B between cysteines 121 and 155.

Details

Redox score ?
82
PDB code
1fsu
Structure name
crystal structure of 4-sulfatase (human)
Structure deposition date
1996-07-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
P15848
Residue number A
121
Residue number B
155
Peptide name
Arylsulfatase B

Ligandability

Cysteine 121 of Arylsulfatase B

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 155 of Arylsulfatase B

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 Arylsulfatase B between cysteines 117 and 521.

Details

Redox score ?
82
PDB code
1fsu
Structure name
crystal structure of 4-sulfatase (human)
Structure deposition date
1996-07-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P15848
Residue number A
117
Residue number B
521
Peptide name
Arylsulfatase B

Ligandability

Cysteine 117 of Arylsulfatase B

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 521 of Arylsulfatase B

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 Arylsulfatase B between cysteines 181 and 192.

Details

Redox score ?
80
PDB code
1fsu
Structure name
crystal structure of 4-sulfatase (human)
Structure deposition date
1996-07-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
P15848
Residue number A
181
Residue number B
192
Peptide name
Arylsulfatase B

Ligandability

Cysteine 181 of Arylsulfatase B

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 192 of Arylsulfatase B

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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