a tool for identifying drug-targetable redox-active disulphides

Telomeric repeat-binding factor 1

Intramolecular

Cysteine 83 and cysteine 126

Cysteine 83 and cysteine 87

Cysteine 83 and cysteine 118 L

Cysteine 87 and cysteine 126

A redox-regulated disulphide may form within Telomeric repeat-binding factor 1 between cysteines 83 and 126.

Details

Redox score ?

75

PDB code

Structure name

dimerisation domain from human trf1

Structure deposition date

2001-06-20

Thiol separation (Å)

4

Half-sphere exposure sum ?

88

Minimum pK_a ?

4

% buried

99

Peptide accession

Residue number A

83

Residue number B

126

Peptide name

Telomeric repeat-binding factor 1

Ligandability

Cysteine 83 of Telomeric repeat-binding factor 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 126 of Telomeric repeat-binding factor 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 Telomeric repeat-binding factor 1 between cysteines 83 and 87.

Details

Redox score ?

74

PDB code

Structure name

structure of the trf1-terb1 interface

Structure deposition date

2017-07-20

Thiol separation (Å)

4

Half-sphere exposure sum ?

88

Minimum pK_a ?

4

% buried

100

Peptide accession

Residue number A

83

Residue number B

87

Peptide name

Telomeric repeat-binding factor 1

Ligandability

Cysteine 83 of Telomeric repeat-binding factor 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 87 of Telomeric repeat-binding factor 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 Telomeric repeat-binding factor 1 between cysteines 83 and 118. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

51

PDB code

Structure name

structure of the trf1-terb1 interface

Structure deposition date

2017-07-20

Thiol separation (Å)

9

Half-sphere exposure sum ?

66

Minimum pK_a ?

4

% buried

66

Peptide accession

Residue number A

83

Residue number B

118

Peptide name

Telomeric repeat-binding factor 1

Ligandability

Cysteine 83 of Telomeric repeat-binding factor 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 118 of Telomeric repeat-binding factor 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.

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 Telomeric repeat-binding factor 1 between cysteines 87 and 126. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

33

PDB code

Structure name

structure of the trf1-terb1 interface

Structure deposition date

2017-07-20

Thiol separation (Å)

7

Half-sphere exposure sum ?

88

Minimum pK_a ?

18

% buried

100

Peptide accession

Residue number A

87

Residue number B

126

Peptide name

Telomeric repeat-binding factor 1

Ligandability

Cysteine 87 of Telomeric repeat-binding factor 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 126 of Telomeric repeat-binding factor 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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