a tool for identifying drug-targetable redox-active disulphides

Nucleoporin SEH1

Intramolecular

Cysteine 161 and cysteine 165

Cysteine 133 and cysteine 165

Cysteine 133 and cysteine 161

Cysteine 133 and cysteine 167

Cysteine 30 and cysteine 77

Cysteine 77 and cysteine 133

Cysteine 165 and cysteine 167

A redox-regulated disulphide may form within Nucleoporin SEH1 between cysteines 161 and 165.

Details

Redox score ?

75

PDB code

Structure name

human gator2 complex

Structure deposition date

2022-03-27

Thiol separation (Å)

4

Half-sphere exposure sum ?

69

Minimum pK_a ?

7

% buried

71

Peptide accession

Residue number A

161

Residue number B

165

Peptide name

Nucleoporin SEH1

Ligandability

Cysteine 161 of Nucleoporin SEH1

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 165 of Nucleoporin SEH1

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 Nucleoporin SEH1 between cysteines 133 and 165. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

48

PDB code

Structure name

human gator2 complex

Structure deposition date

2022-03-27

Thiol separation (Å)

5

Half-sphere exposure sum ?

86

Minimum pK_a ?

14

% buried

85

Peptide accession

Residue number A

133

Residue number B

165

Peptide name

Nucleoporin SEH1

Ligandability

Cysteine 133 of Nucleoporin SEH1

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 165 of Nucleoporin SEH1

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 Nucleoporin SEH1 between cysteines 133 and 161. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

46

PDB code

Structure name

human gator2 complex

Structure deposition date

2022-03-27

Thiol separation (Å)

8

Half-sphere exposure sum ?

77

Minimum pK_a ?

7

% buried

83

Peptide accession

Residue number A

133

Residue number B

161

Peptide name

Nucleoporin SEH1

Ligandability

Cysteine 133 of Nucleoporin SEH1

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 161 of Nucleoporin SEH1

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 Nucleoporin SEH1 between cysteines 133 and 167. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

36

PDB code

Structure name

human gator2 complex

Structure deposition date

2022-03-27

Thiol separation (Å)

7

Half-sphere exposure sum ?

92

Minimum pK_a ?

13

% buried

100

Peptide accession

Residue number A

133

Residue number B

167

Peptide name

Nucleoporin SEH1

Ligandability

Cysteine 133 of Nucleoporin SEH1

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 167 of Nucleoporin SEH1

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 Nucleoporin SEH1 between cysteines 30 and 77. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

35

PDB code

Structure name

human gator2 complex

Structure deposition date

2022-03-27

Thiol separation (Å)

7

Half-sphere exposure sum ?

94

Minimum pK_a ?

13

% buried

100

Peptide accession

Residue number A

30

Residue number B

77

Peptide name

Nucleoporin SEH1

Ligandability

Cysteine 30 of Nucleoporin SEH1

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 77 of Nucleoporin SEH1

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 Nucleoporin SEH1 between cysteines 77 and 133. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

32

PDB code

Structure name

human gator2 complex

Structure deposition date

2022-03-27

Thiol separation (Å)

8

Half-sphere exposure sum ?

90

Minimum pK_a ?

12

% buried

100

Peptide accession

Residue number A

77

Residue number B

133

Peptide name

Nucleoporin SEH1

Ligandability

Cysteine 77 of Nucleoporin SEH1

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 133 of Nucleoporin SEH1

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 Nucleoporin SEH1 between cysteines 165 and 167. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

30

PDB code

Structure name

human gator2 complex

Structure deposition date

2022-03-27

Thiol separation (Å)

9

Half-sphere exposure sum ?

83

Minimum pK_a ?

13

% buried

85

Peptide accession

Residue number A

165

Residue number B

167

Peptide name

Nucleoporin SEH1

Ligandability

Cysteine 165 of Nucleoporin SEH1

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 167 of Nucleoporin SEH1

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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