a tool for identifying drug-targetable redox-active disulphides

Signal transducing adapter molecule 1

Intramolecular

Cysteine 33 and cysteine 76

Cysteine 33 and cysteine 72

Cysteine 46 and cysteine 72

Cysteine 72 and cysteine 76

Cysteine 33 and cysteine 46

Cysteine 46 and cysteine 76

A redox-regulated disulphide may form within Signal transducing adapter molecule 1 between cysteines 33 and 76.

Details

Redox score ?

81

PDB code

Structure name

crystal structure of human stam1 vhs domain in complex with ubiquitin

Structure deposition date

2010-01-13

Thiol separation (Å)

4

Half-sphere exposure sum ?

72

Minimum pK_a ?

4

% buried

80

Peptide accession

Residue number A

33

Residue number B

76

Peptide name

Signal transducing adapter molecule 1

Ligandability

Cysteine 33 of Signal transducing adapter molecule 1

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 76 of Signal transducing adapter molecule 1

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 Signal transducing adapter molecule 1 between cysteines 33 and 72.

Details

Redox score ?

77

PDB code

Structure name

crystal structure of human stam1 vhs domain in complex with ubiquitin

Structure deposition date

2010-01-13

Thiol separation (Å)

4

Half-sphere exposure sum ?

78

Minimum pK_a ?

4

% buried

94

Peptide accession

Residue number A

33

Residue number B

72

Peptide name

Signal transducing adapter molecule 1

Ligandability

Cysteine 33 of Signal transducing adapter molecule 1

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 72 of Signal transducing adapter molecule 1

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 Signal transducing adapter molecule 1 between cysteines 46 and 72.

Details

Redox score ?

68

PDB code

Structure name

crystal structure of human stam1 vhs domain in complex with ubiquitin

Structure deposition date

2010-01-13

Thiol separation (Å)

4

Half-sphere exposure sum ?

83

Minimum pK_a ?

9

% buried

95

Peptide accession

Residue number A

46

Residue number B

72

Peptide name

Signal transducing adapter molecule 1

Ligandability

Cysteine 46 of Signal transducing adapter molecule 1

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 72 of Signal transducing adapter molecule 1

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 Signal transducing adapter molecule 1 between cysteines 72 and 76.

Details

Redox score ?

61

PDB code

Structure name

crystal structure of human stam1 vhs domain in complex with ubiquitin

Structure deposition date

2010-01-13

Thiol separation (Å)

4

Half-sphere exposure sum ?

75

Minimum pK_a ?

13

% buried

88

Peptide accession

Residue number A

72

Residue number B

76

Peptide name

Signal transducing adapter molecule 1

Ligandability

Cysteine 72 of Signal transducing adapter molecule 1

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 76 of Signal transducing adapter molecule 1

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 Signal transducing adapter molecule 1 between cysteines 33 and 46.

Details

Redox score ?

60

PDB code

Structure name

crystal structure of human stam1 vhs domain in complex with ubiquitin

Structure deposition date

2010-01-13

Thiol separation (Å)

7

Half-sphere exposure sum ?

81

Minimum pK_a ?

4

% buried

88

Peptide accession

Residue number A

33

Residue number B

46

Peptide name

Signal transducing adapter molecule 1

Ligandability

Cysteine 33 of Signal transducing adapter molecule 1

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 Signal transducing adapter molecule 1

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 Signal transducing adapter molecule 1 between cysteines 46 and 76. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

57

PDB code

Structure name

crystal structure of human stam1 vhs domain in complex with ubiquitin

Structure deposition date

2010-01-13

Thiol separation (Å)

6

Half-sphere exposure sum ?

77

Minimum pK_a ?

9

% buried

80

Peptide accession

Residue number A

46

Residue number B

76

Peptide name

Signal transducing adapter molecule 1

Ligandability

Cysteine 46 of Signal transducing adapter molecule 1

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 76 of Signal transducing adapter molecule 1

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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