a tool for identifying drug-targetable redox-active disulphides

Transcription factor COE1

Intramolecular

Cysteine 151 and cysteine 198

Cysteine 164 and cysteine 170

Cysteine 161 and cysteine 164

Cysteine 161 and cysteine 170

Cysteine 164 and cysteine 165

Cysteine 161 and cysteine 165

Cysteine 263 and cysteine 335

Cysteine 194 and cysteine 198

Cysteine 165 and cysteine 170

A redox-regulated disulphide may form within Transcription factor COE1 between cysteines 151 and 198.

Details

Redox score ?

89

PDB code

Structure name

dna binding domain of early b-cell factor 1 (ebf1) bound to dna (crystal form ii)

Structure deposition date

2010-04-17

Thiol separation (Å)

3

Half-sphere exposure sum ?

26

Minimum pK_a ?

9

% buried

0

Peptide accession

Residue number A

151

Residue number B

198

Peptide name

Transcription factor COE1

Ligandability

Cysteine 151 of Transcription factor COE1

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 198 of Transcription factor COE1

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 Transcription factor COE1 between cysteines 164 and 170.

Details

Redox score ?

84

PDB code

Structure name

early b-cell factor 1 (ebf1) bound to dna

Structure deposition date

2010-04-17

Thiol separation (Å)

3

Half-sphere exposure sum ?

39

Minimum pK_a ?

8

% buried

nan

Peptide accession

Residue number A

164

Residue number B

170

Peptide name

Transcription factor COE1

Ligandability

Cysteine 164 of Transcription factor COE1

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 170 of Transcription factor COE1

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 Transcription factor COE1 between cysteines 161 and 164.

Details

Redox score ?

82

PDB code

Structure name

dna binding domain of early b-cell factor 1 (ebf1) bound to dna (crystal form i)

Structure deposition date

2010-04-17

Thiol separation (Å)

3

Half-sphere exposure sum ?

47

Minimum pK_a ?

8

% buried

60

Peptide accession

Residue number A

161

Residue number B

164

Peptide name

Transcription factor COE1

Ligandability

Cysteine 161 of Transcription factor COE1

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 164 of Transcription factor COE1

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 Transcription factor COE1 between cysteines 161 and 170.

Details

Redox score ?

63

PDB code

Structure name

early b-cell factor 1 (ebf1) bound to dna

Structure deposition date

2010-04-17

Thiol separation (Å)

3

Half-sphere exposure sum ?

45

Minimum pK_a ?

18

% buried

nan

Peptide accession

Residue number A

161

Residue number B

170

Peptide name

Transcription factor COE1

Ligandability

Cysteine 161 of Transcription factor COE1

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 170 of Transcription factor COE1

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 Transcription factor COE1 between cysteines 164 and 165.

Details

Redox score ?

62

PDB code

Structure name

early b-cell factor 1 (ebf1) bound to dna

Structure deposition date

2010-04-17

Thiol separation (Å)

7

Half-sphere exposure sum ?

37

Minimum pK_a ?

8

% buried

34

Peptide accession

Residue number A

164

Residue number B

165

Peptide name

Transcription factor COE1

Ligandability

Cysteine 164 of Transcription factor COE1

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 165 of Transcription factor COE1

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 Transcription factor COE1 between cysteines 161 and 165. 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

dna binding domain of early b-cell factor 1 (ebf1) bound to dna (crystal form i)

Structure deposition date

2010-04-17

Thiol separation (Å)

7

Half-sphere exposure sum ?

45

Minimum pK_a ?

10

% buried

45

Peptide accession

Residue number A

161

Residue number B

165

Peptide name

Transcription factor COE1

Ligandability

Cysteine 161 of Transcription factor COE1

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 165 of Transcription factor COE1

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 Transcription factor COE1 between cysteines 263 and 335 (256 and 328 respectively in this structure). 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

early b-cell factor 1 (ebf1) bound to dna

Structure deposition date

2010-04-17

Thiol separation (Å)

7

Half-sphere exposure sum ?

58

Minimum pK_a ?

10

% buried

32

Peptide accession

Residue number A

263

Residue number B

335

Peptide name

Transcription factor COE1

Ligandability

Cysteine 263 of Transcription factor COE1

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 335 of Transcription factor COE1

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 Transcription factor COE1 between cysteines 194 and 198. 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

human early b-cell factor 1 (ebf1) dna-binding domain

Structure deposition date

2010-02-28

Thiol separation (Å)

7

Half-sphere exposure sum ?

72

Minimum pK_a ?

10

% buried

76

Peptide accession

Residue number A

194

Residue number B

198

Peptide name

Transcription factor COE1

Ligandability

Cysteine 194 of Transcription factor COE1

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 198 of Transcription factor COE1

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 Transcription factor COE1 between cysteines 165 and 170. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

40

PDB code

Structure name

dna binding domain of early b-cell factor 1 (ebf1) bound to dna (crystal form ii)

Structure deposition date

2010-04-17

Thiol separation (Å)

10

Half-sphere exposure sum ?

51

Minimum pK_a ?

11

% buried

nan

Peptide accession

Residue number A

165

Residue number B

170

Peptide name

Transcription factor COE1

Ligandability

Cysteine 165 of Transcription factor COE1

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 170 of Transcription factor COE1

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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