a tool for identifying drug-targetable redox-active disulphides

Interleukin-27 subunit beta

Intramolecular

Cysteine 79 and cysteine 89

Cysteine 35 and cysteine 46

Cysteine 46 and cysteine 89

Cysteine 46 and cysteine 79

Cysteine 35 and cysteine 89

Cysteine 35 and cysteine 79

A redox-regulated disulphide may form within Interleukin-27 subunit beta between cysteines 79 and 89.

Details

Redox score ?

87

PDB code

Structure name

il-27 quaternary receptor signaling complex

Structure deposition date

2022-03-07

Thiol separation (Å)

2

Half-sphere exposure sum ?

64

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

79

Residue number B

89

Peptide name

Interleukin-27 subunit beta

Ligandability

Cysteine 79 of Interleukin-27 subunit beta

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 89 of Interleukin-27 subunit beta

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-27 subunit beta between cysteines 35 and 46.

Details

Redox score ?

84

PDB code

Structure name

il-27 quaternary receptor signaling complex

Structure deposition date

2022-03-07

Thiol separation (Å)

2

Half-sphere exposure sum ?

71

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

35

Residue number B

46

Peptide name

Interleukin-27 subunit beta

Ligandability

Cysteine 35 of Interleukin-27 subunit beta

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 46 of Interleukin-27 subunit beta

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-27 subunit beta between cysteines 46 and 89.

Details

Redox score ?

67

PDB code

Structure name

il-27 quaternary receptor signaling complex

Structure deposition date

2022-03-07

Thiol separation (Å)

5

Half-sphere exposure sum ?

67

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

46

Residue number B

89

Peptide name

Interleukin-27 subunit beta

Ligandability

Cysteine 46 of Interleukin-27 subunit beta

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 89 of Interleukin-27 subunit beta

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-27 subunit beta between cysteines 46 and 79.

Details

Redox score ?

65

PDB code

Structure name

il-27 quaternary receptor signaling complex

Structure deposition date

2022-03-07

Thiol separation (Å)

6

Half-sphere exposure sum ?

67

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

46

Residue number B

79

Peptide name

Interleukin-27 subunit beta

Ligandability

Cysteine 46 of Interleukin-27 subunit beta

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 79 of Interleukin-27 subunit beta

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-27 subunit beta between cysteines 35 and 89. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

59

PDB code

Structure name

il-27 quaternary receptor signaling complex

Structure deposition date

2022-03-07

Thiol separation (Å)

6

Half-sphere exposure sum ?

68

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

35

Residue number B

89

Peptide name

Interleukin-27 subunit beta

Ligandability

Cysteine 35 of Interleukin-27 subunit beta

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 89 of Interleukin-27 subunit beta

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-27 subunit beta between cysteines 35 and 79. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

55

PDB code

Structure name

il-27 quaternary receptor signaling complex

Structure deposition date

2022-03-07

Thiol separation (Å)

8

Half-sphere exposure sum ?

68

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

35

Residue number B

79

Peptide name

Interleukin-27 subunit beta

Ligandability

Cysteine 35 of Interleukin-27 subunit beta

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 79 of Interleukin-27 subunit beta

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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