a tool for identifying drug-targetable redox-active disulphides

Sodium channel protein type 10 subunit alpha

Intramolecular

Cysteine 276 and cysteine 319

Cysteine 1310 and cysteine 1332

Cysteine 857 and cysteine 866

Cysteine 1678 and cysteine 1692

Cysteine 310 and cysteine 325

Cysteine 319 and cysteine 325

Cysteine 310 and cysteine 319

Cysteine 276 and cysteine 310

Cysteine 276 and cysteine 325

Cysteine 144 and cysteine 146

A redox-regulated disulphide may form within Sodium channel protein type 10 subunit alpha between cysteines 276 and 319.

Details

Redox score ?

86

PDB code

Structure name

sodium channel iii

Structure deposition date

2021-12-27

Thiol separation (Å)

2

Half-sphere exposure sum ?

64

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

276

Residue number B

319

Peptide name

Sodium channel protein type 10 subunit alpha

Ligandability

Cysteine 276 of Sodium channel protein type 10 subunit alpha

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 319 of Sodium channel protein type 10 subunit alpha

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 Sodium channel protein type 10 subunit alpha between cysteines 1310 and 1332.

Details

Redox score ?

86

PDB code

Structure name

sodium channel i

Structure deposition date

2021-12-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

69

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

1310

Residue number B

1332

Peptide name

Sodium channel protein type 10 subunit alpha

Ligandability

Cysteine 1310 of Sodium channel protein type 10 subunit alpha

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 1332 of Sodium channel protein type 10 subunit alpha

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 Sodium channel protein type 10 subunit alpha between cysteines 857 and 866.

Details

Redox score ?

85

PDB code

Structure name

sodium channel i

Structure deposition date

2021-12-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

73

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

857

Residue number B

866

Peptide name

Sodium channel protein type 10 subunit alpha

Ligandability

Cysteine 857 of Sodium channel protein type 10 subunit alpha

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 866 of Sodium channel protein type 10 subunit alpha

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 Sodium channel protein type 10 subunit alpha between cysteines 1678 and 1692.

Details

Redox score ?

84

PDB code

Structure name

sodium channel i

Structure deposition date

2021-12-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

61

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

1678

Residue number B

1692

Peptide name

Sodium channel protein type 10 subunit alpha

Ligandability

Cysteine 1678 of Sodium channel protein type 10 subunit alpha

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 1692 of Sodium channel protein type 10 subunit alpha

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 Sodium channel protein type 10 subunit alpha between cysteines 310 and 325.

Details

Redox score ?

81

PDB code

Structure name

sodium channel i

Structure deposition date

2021-12-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

76

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

310

Residue number B

325

Peptide name

Sodium channel protein type 10 subunit alpha

Ligandability

Cysteine 310 of Sodium channel protein type 10 subunit alpha

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 325 of Sodium channel protein type 10 subunit alpha

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 Sodium channel protein type 10 subunit alpha between cysteines 319 and 325.

Details

Redox score ?

77

PDB code

Structure name

sodium channel i

Structure deposition date

2021-12-22

Thiol separation (Å)

4

Half-sphere exposure sum ?

64

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

319

Residue number B

325

Peptide name

Sodium channel protein type 10 subunit alpha

Ligandability

Cysteine 319 of Sodium channel protein type 10 subunit alpha

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 325 of Sodium channel protein type 10 subunit alpha

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 Sodium channel protein type 10 subunit alpha between cysteines 310 and 319.

Details

Redox score ?

75

PDB code

Structure name

sodium channel ii

Structure deposition date

2021-12-23

Thiol separation (Å)

3

Half-sphere exposure sum ?

72

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

310

Residue number B

319

Peptide name

Sodium channel protein type 10 subunit alpha

Ligandability

Cysteine 310 of Sodium channel protein type 10 subunit alpha

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 319 of Sodium channel protein type 10 subunit alpha

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 Sodium channel protein type 10 subunit alpha between cysteines 276 and 310.

Details

Redox score ?

70

PDB code

Structure name

sodium channel iv

Structure deposition date

2021-12-27

Thiol separation (Å)

4

Half-sphere exposure sum ?

76

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

276

Residue number B

310

Peptide name

Sodium channel protein type 10 subunit alpha

Ligandability

Cysteine 276 of Sodium channel protein type 10 subunit alpha

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 310 of Sodium channel protein type 10 subunit alpha

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 Sodium channel protein type 10 subunit alpha between cysteines 276 and 325.

Details

Redox score ?

67

PDB code

Structure name

sodium channel i

Structure deposition date

2021-12-22

Thiol separation (Å)

5

Half-sphere exposure sum ?

68

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

276

Residue number B

325

Peptide name

Sodium channel protein type 10 subunit alpha

Ligandability

Cysteine 276 of Sodium channel protein type 10 subunit alpha

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 325 of Sodium channel protein type 10 subunit alpha

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 Sodium channel protein type 10 subunit alpha between cysteines 144 and 146. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

38

PDB code

Structure name

sodium channel ii

Structure deposition date

2021-12-23

Thiol separation (Å)

10

Half-sphere exposure sum ?

58

Minimum pK_a ?

10

% buried

38

Peptide accession

Residue number A

144

Residue number B

146

Peptide name

Sodium channel protein type 10 subunit alpha

Ligandability

Cysteine 144 of Sodium channel protein type 10 subunit alpha

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 146 of Sodium channel protein type 10 subunit alpha

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: