ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

Cathepsin S

Intramolecular
Cysteine 272 and cysteine 320
Cysteine 136 and cysteine 180
Cysteine 170 and cysteine 213
Cysteine 136 and cysteine 139
A redox-regulated disulphide may form within Cathepsin S between cysteines 272 and 320 (158 and 206 respectively in this structure).

Details

Redox score ?
86
PDB code
5qcb
Structure name
crystal structure of human cathepsin-s with bound ligand
Structure deposition date
2017-08-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P25774
Residue number A
272
Residue number B
320
Peptide name
Cathepsin S

Ligandability

Cysteine 272 of Cathepsin S

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 320 of Cathepsin S

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 Cathepsin S between cysteines 136 and 180 (22 and 63 respectively in this structure).

Details

Redox score ?
84
PDB code
2fud
Structure name
human cathepsin s with inhibitor cra-27566
Structure deposition date
2006-01-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P25774
Residue number A
136
Residue number B
180
Peptide name
Cathepsin S

Ligandability

Cysteine 136 of Cathepsin S

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 180 of Cathepsin S

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 Cathepsin S between cysteines 170 and 213 (56 and 99 respectively in this structure).

Details

Redox score ?
83
PDB code
2fud
Structure name
human cathepsin s with inhibitor cra-27566
Structure deposition date
2006-01-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
P25774
Residue number A
170
Residue number B
213
Peptide name
Cathepsin S

Ligandability

Cysteine 170 of Cathepsin S

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 213 of Cathepsin S

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 Cathepsin S between cysteines 136 and 139 (22 and 25 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
4p6g
Structure name
crystal structure of human cathepsin s bound to a non-covalent inhibitor
Structure deposition date
2014-03-24
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
11
% buried
nan
Peptide accession
P25774
Residue number A
136
Residue number B
139
Peptide name
Cathepsin S

Ligandability

Cysteine 136 of Cathepsin S

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 139 of Cathepsin S

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.

If this tool was useful for finding a disulphide, please cite: