a tool for identifying drug-targetable redox-active disulphides

Destrin

Intramolecular

Cysteine 135 and cysteine 147 L

Cysteine 39 and cysteine 80

Cysteine 12 and cysteine 46

Cysteine 39 and cysteine 46

A redox-regulated disulphide may form within Destrin between cysteines 135 and 147. 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

destrin, nmr, minimized average structure

Structure deposition date

1997-05-29

Thiol separation (Å)

6

Half-sphere exposure sum ?

59

Minimum pK_a ?

11

% buried

47

Peptide accession

Residue number A

135

Residue number B

147

Peptide name

Destrin

Ligandability

Cysteine 135 of Destrin

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.

Ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 147 of Destrin

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Destrin between cysteines 39 and 80. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

52

PDB code

Structure name

destrin, nmr, 20 structures

Structure deposition date

1997-05-29

Thiol separation (Å)

5

Half-sphere exposure sum ?

96

Minimum pK_a ?

12

% buried

82

Peptide accession

Residue number A

39

Residue number B

80

Peptide name

Destrin

Ligandability

Cysteine 39 of Destrin

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 80 of Destrin

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 Destrin between cysteines 12 and 46. 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

destrin, nmr, 20 structures

Structure deposition date

1997-05-29

Thiol separation (Å)

10

Half-sphere exposure sum ?

65

Minimum pK_a ?

9

% buried

16

Peptide accession

Residue number A

12

Residue number B

46

Peptide name

Destrin

Ligandability

Cysteine 12 of Destrin

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 Destrin

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 Destrin between cysteines 39 and 46. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

28

PDB code

Structure name

destrin, nmr, 20 structures

Structure deposition date

1997-05-29

Thiol separation (Å)

10

Half-sphere exposure sum ?

88

Minimum pK_a ?

10

% buried

52

Peptide accession

Residue number A

39

Residue number B

46

Peptide name

Destrin

Ligandability

Cysteine 39 of Destrin

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 Destrin

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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