ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Transmembrane protease serine 2

Intramolecular
Cysteine 172 and cysteine 231
Cysteine 185 and cysteine 241
Cysteine 410 and cysteine 426
Cysteine 244 and cysteine 365
Cysteine 437 and cysteine 465
Cysteine 281 and cysteine 297
Cysteine 241 and cysteine 244
A redox-regulated disulphide may form within Transmembrane protease serine 2 between cysteines 172 and 231.

Details

Redox score ?
85
PDB code
7meq
Structure name
crystal structure of human tmprss2 in complex with nafamostat
Structure deposition date
2021-04-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15393
Residue number A
172
Residue number B
231
Peptide name
Transmembrane protease serine 2

Ligandability

Cysteine 172 of Transmembrane protease serine 2

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 231 of Transmembrane protease serine 2

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 Transmembrane protease serine 2 between cysteines 185 and 241.

Details

Redox score ?
83
PDB code
7meq
Structure name
crystal structure of human tmprss2 in complex with nafamostat
Structure deposition date
2021-04-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15393
Residue number A
185
Residue number B
241
Peptide name
Transmembrane protease serine 2

Ligandability

Cysteine 185 of Transmembrane protease serine 2

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 241 of Transmembrane protease serine 2

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 Transmembrane protease serine 2 between cysteines 410 and 426.

Details

Redox score ?
81
PDB code
7meq
Structure name
crystal structure of human tmprss2 in complex with nafamostat
Structure deposition date
2021-04-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15393
Residue number A
410
Residue number B
426
Peptide name
Transmembrane protease serine 2

Ligandability

Cysteine 410 of Transmembrane protease serine 2

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 426 of Transmembrane protease serine 2

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 Transmembrane protease serine 2 between cysteines 244 and 365.

Details

Redox score ?
81
PDB code
7meq
Structure name
crystal structure of human tmprss2 in complex with nafamostat
Structure deposition date
2021-04-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15393
Residue number A
244
Residue number B
365
Peptide name
Transmembrane protease serine 2

Ligandability

Cysteine 244 of Transmembrane protease serine 2

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 365 of Transmembrane protease serine 2

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 Transmembrane protease serine 2 between cysteines 437 and 465.

Details

Redox score ?
79
PDB code
7meq
Structure name
crystal structure of human tmprss2 in complex with nafamostat
Structure deposition date
2021-04-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
85
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15393
Residue number A
437
Residue number B
465
Peptide name
Transmembrane protease serine 2

Ligandability

Cysteine 437 of Transmembrane protease serine 2

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 465 of Transmembrane protease serine 2

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 Transmembrane protease serine 2 between cysteines 281 and 297.

Details

Redox score ?
78
PDB code
7meq
Structure name
crystal structure of human tmprss2 in complex with nafamostat
Structure deposition date
2021-04-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
88
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15393
Residue number A
281
Residue number B
297
Peptide name
Transmembrane protease serine 2

Ligandability

Cysteine 281 of Transmembrane protease serine 2

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 297 of Transmembrane protease serine 2

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 Transmembrane protease serine 2 between cysteines 241 and 244. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
7meq
Structure name
crystal structure of human tmprss2 in complex with nafamostat
Structure deposition date
2021-04-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15393
Residue number A
241
Residue number B
244
Peptide name
Transmembrane protease serine 2

Ligandability

Cysteine 241 of Transmembrane protease serine 2

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 244 of Transmembrane protease serine 2

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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