a tool for identifying drug-targetable redox-active disulphides

Steroid hormone receptor ERR2

Intramolecular

Cysteine 139 and cysteine 145

Cysteine 139 and cysteine 155

Cysteine 139 and cysteine 158

Cysteine 145 and cysteine 155

Cysteine 145 and cysteine 158

Cysteine 103 and cysteine 106

Cysteine 106 and cysteine 123

Cysteine 155 and cysteine 158

Cysteine 106 and cysteine 120

Cysteine 103 and cysteine 123

Cysteine 120 and cysteine 123

Cysteine 103 and cysteine 120

A redox-regulated disulphide may form within Steroid hormone receptor ERR2 between cysteines 139 and 145.

Details

Redox score ?

93

PDB code

Structure name

estrogen related receptor 2 dna binding domain in complex with dna

Structure deposition date

2002-05-05

Thiol separation (Å)

4

Half-sphere exposure sum ?

46

Minimum pK_a ?

6

% buried

0

Peptide accession

Residue number A

139

Residue number B

145

Peptide name

Steroid hormone receptor ERR2

Ligandability

Cysteine 139 of Steroid hormone receptor ERR2

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 145 of Steroid hormone receptor ERR2

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 Steroid hormone receptor ERR2 between cysteines 139 and 155.

Details

Redox score ?

89

PDB code

Structure name

estrogen related receptor 2 dna binding domain in complex with dna

Structure deposition date

2002-05-05

Thiol separation (Å)

4

Half-sphere exposure sum ?

49

Minimum pK_a ?

6

% buried

5

Peptide accession

Residue number A

139

Residue number B

155

Peptide name

Steroid hormone receptor ERR2

Ligandability

Cysteine 139 of Steroid hormone receptor ERR2

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 155 of Steroid hormone receptor ERR2

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 Steroid hormone receptor ERR2 between cysteines 139 and 158.

Details

Redox score ?

88

PDB code

Structure name

estrogen related receptor 2 dna binding domain in complex with dna

Structure deposition date

2002-05-05

Thiol separation (Å)

4

Half-sphere exposure sum ?

52

Minimum pK_a ?

6

% buried

1

Peptide accession

Residue number A

139

Residue number B

158

Peptide name

Steroid hormone receptor ERR2

Ligandability

Cysteine 139 of Steroid hormone receptor ERR2

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 158 of Steroid hormone receptor ERR2

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 Steroid hormone receptor ERR2 between cysteines 145 and 155.

Details

Redox score ?

83

PDB code

Structure name

estrogen related receptor 2 dna binding domain in complex with dna

Structure deposition date

2002-05-05

Thiol separation (Å)

4

Half-sphere exposure sum ?

51

Minimum pK_a ?

9

% buried

5

Peptide accession

Residue number A

145

Residue number B

155

Peptide name

Steroid hormone receptor ERR2

Ligandability

Cysteine 145 of Steroid hormone receptor ERR2

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 155 of Steroid hormone receptor ERR2

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 Steroid hormone receptor ERR2 between cysteines 145 and 158.

Details

Redox score ?

82

PDB code

Structure name

estrogen related receptor 2 dna binding domain in complex with dna

Structure deposition date

2002-05-05

Thiol separation (Å)

4

Half-sphere exposure sum ?

54

Minimum pK_a ?

9

% buried

1

Peptide accession

Residue number A

145

Residue number B

158

Peptide name

Steroid hormone receptor ERR2

Ligandability

Cysteine 145 of Steroid hormone receptor ERR2

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 158 of Steroid hormone receptor ERR2

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 Steroid hormone receptor ERR2 between cysteines 103 and 106.

Details

Redox score ?

79

PDB code

Structure name

estrogen related receptor 2 dna binding domain in complex with dna

Structure deposition date

2002-05-05

Thiol separation (Å)

4

Half-sphere exposure sum ?

66

Minimum pK_a ?

7

% buried

nan

Peptide accession

Residue number A

103

Residue number B

106

Peptide name

Steroid hormone receptor ERR2

Ligandability

Cysteine 103 of Steroid hormone receptor ERR2

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 106 of Steroid hormone receptor ERR2

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 Steroid hormone receptor ERR2 between cysteines 106 and 123.

Details

Redox score ?

78

PDB code

Structure name

estrogen related receptor 2 dna binding domain in complex with dna

Structure deposition date

2002-05-05

Thiol separation (Å)

4

Half-sphere exposure sum ?

72

Minimum pK_a ?

7

% buried

76

Peptide accession

Residue number A

106

Residue number B

123

Peptide name

Steroid hormone receptor ERR2

Ligandability

Cysteine 106 of Steroid hormone receptor ERR2

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 123 of Steroid hormone receptor ERR2

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 Steroid hormone receptor ERR2 between cysteines 155 and 158.

Details

Redox score ?

77

PDB code

Structure name

estrogen related receptor 2 dna binding domain in complex with dna

Structure deposition date

2002-05-05

Thiol separation (Å)

4

Half-sphere exposure sum ?

57

Minimum pK_a ?

9

% buried

6

Peptide accession

Residue number A

155

Residue number B

158

Peptide name

Steroid hormone receptor ERR2

Ligandability

Cysteine 155 of Steroid hormone receptor ERR2

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 158 of Steroid hormone receptor ERR2

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 Steroid hormone receptor ERR2 between cysteines 106 and 120.

Details

Redox score ?

77

PDB code

Structure name

estrogen related receptor 2 dna binding domain in complex with dna

Structure deposition date

2002-05-05

Thiol separation (Å)

4

Half-sphere exposure sum ?

61

Minimum pK_a ?

7

% buried

60

Peptide accession

Residue number A

106

Residue number B

120

Peptide name

Steroid hormone receptor ERR2

Ligandability

Cysteine 106 of Steroid hormone receptor ERR2

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 120 of Steroid hormone receptor ERR2

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 Steroid hormone receptor ERR2 between cysteines 103 and 123.

Details

Redox score ?

74

PDB code

Structure name

estrogen related receptor 2 dna binding domain in complex with dna

Structure deposition date

2002-05-05

Thiol separation (Å)

4

Half-sphere exposure sum ?

72

Minimum pK_a ?

10

% buried

nan

Peptide accession

Residue number A

103

Residue number B

123

Peptide name

Steroid hormone receptor ERR2

Ligandability

Cysteine 103 of Steroid hormone receptor ERR2

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 123 of Steroid hormone receptor ERR2

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 Steroid hormone receptor ERR2 between cysteines 120 and 123.

Details

Redox score ?

72

PDB code

Structure name

estrogen related receptor 2 dna binding domain in complex with dna

Structure deposition date

2002-05-05

Thiol separation (Å)

4

Half-sphere exposure sum ?

68

Minimum pK_a ?

10

% buried

77

Peptide accession

Residue number A

120

Residue number B

123

Peptide name

Steroid hormone receptor ERR2

Ligandability

Cysteine 120 of Steroid hormone receptor ERR2

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 123 of Steroid hormone receptor ERR2

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 Steroid hormone receptor ERR2 between cysteines 103 and 120. 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

estrogen related receptor 2 dna binding domain in complex with dna

Structure deposition date

2002-05-05

Thiol separation (Å)

4

Half-sphere exposure sum ?

62

Minimum pK_a ?

21

% buried

nan

Peptide accession

Residue number A

103

Residue number B

120

Peptide name

Steroid hormone receptor ERR2

Ligandability

Cysteine 103 of Steroid hormone receptor ERR2

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 120 of Steroid hormone receptor ERR2

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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