a tool for identifying drug-targetable redox-active disulphides

Interleukin-23 receptor

Intramolecular

Cysteine 253 and cysteine 296

Cysteine 133 and cysteine 144

Cysteine 59 and cysteine 105

Cysteine 52 and cysteine 101

Cysteine 30 and cysteine 115

Cysteine 101 and cysteine 115

Cysteine 52 and cysteine 115

Cysteine 30 and cysteine 101

Cysteine 30 and cysteine 52

A redox-regulated disulphide may form within Interleukin-23 receptor between cysteines 253 and 296.

Details

Redox score ?

85

PDB code

Structure name

il23/il23r/il12rb1 signaling complex

Structure deposition date

2020-04-01

Thiol separation (Å)

2

Half-sphere exposure sum ?

78

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

253

Residue number B

296

Peptide name

Interleukin-23 receptor

Ligandability

Cysteine 253 of Interleukin-23 receptor

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 296 of Interleukin-23 receptor

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 Interleukin-23 receptor between cysteines 133 and 144.

Details

Redox score ?

85

PDB code

Structure name

il23/il23r/il12rb1 signaling complex

Structure deposition date

2020-04-01

Thiol separation (Å)

2

Half-sphere exposure sum ?

70

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

133

Residue number B

144

Peptide name

Interleukin-23 receptor

Ligandability

Cysteine 133 of Interleukin-23 receptor

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 144 of Interleukin-23 receptor

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 Interleukin-23 receptor between cysteines 59 and 105.

Details

Redox score ?

82

PDB code

Structure name

il-23:il-23r:nb22e11 complex

Structure deposition date

2017-02-01

Thiol separation (Å)

3

Half-sphere exposure sum ?

56

Minimum pK_a ?

nan

% buried

18

Peptide accession

Residue number A

59

Residue number B

105

Peptide name

Interleukin-23 receptor

Ligandability

Cysteine 59 of Interleukin-23 receptor

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 105 of Interleukin-23 receptor

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 Interleukin-23 receptor between cysteines 52 and 101.

Details

Redox score ?

78

PDB code

Structure name

il-23:il-23r:nb22e11 complex

Structure deposition date

2017-02-01

Thiol separation (Å)

2

Half-sphere exposure sum ?

87

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

52

Residue number B

101

Peptide name

Interleukin-23 receptor

Ligandability

Cysteine 52 of Interleukin-23 receptor

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 101 of Interleukin-23 receptor

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 Interleukin-23 receptor between cysteines 30 and 115.

Details

Redox score ?

75

PDB code

Structure name

il-23:il-23r:nb22e11 complex

Structure deposition date

2017-02-01

Thiol separation (Å)

4

Half-sphere exposure sum ?

65

Minimum pK_a ?

nan

% buried

18

Peptide accession

Residue number A

30

Residue number B

115

Peptide name

Interleukin-23 receptor

Ligandability

Cysteine 30 of Interleukin-23 receptor

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 115 of Interleukin-23 receptor

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 Interleukin-23 receptor between cysteines 101 and 115. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

49

PDB code

Structure name

il-23:il-23r:nb22e11 complex

Structure deposition date

2017-02-01

Thiol separation (Å)

7

Half-sphere exposure sum ?

82

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

101

Residue number B

115

Peptide name

Interleukin-23 receptor

Ligandability

Cysteine 101 of Interleukin-23 receptor

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 115 of Interleukin-23 receptor

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 Interleukin-23 receptor between cysteines 52 and 115. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

42

PDB code

Structure name

il23/il23r/il12rb1 signaling complex

Structure deposition date

2020-04-01

Thiol separation (Å)

8

Half-sphere exposure sum ?

80

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

52

Residue number B

115

Peptide name

Interleukin-23 receptor

Ligandability

Cysteine 52 of Interleukin-23 receptor

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 115 of Interleukin-23 receptor

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 Interleukin-23 receptor between cysteines 30 and 101. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

41

PDB code

Structure name

il-23:il-23r:nb22e11 complex

Structure deposition date

2017-02-01

Thiol separation (Å)

9

Half-sphere exposure sum ?

71

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

30

Residue number B

101

Peptide name

Interleukin-23 receptor

Ligandability

Cysteine 30 of Interleukin-23 receptor

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 101 of Interleukin-23 receptor

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 Interleukin-23 receptor between cysteines 30 and 52. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

41

PDB code

Structure name

il23/il23r/il12rb1 signaling complex

Structure deposition date

2020-04-01

Thiol separation (Å)

9

Half-sphere exposure sum ?

70

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

30

Residue number B

52

Peptide name

Interleukin-23 receptor

Ligandability

Cysteine 30 of Interleukin-23 receptor

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 52 of Interleukin-23 receptor

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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