a tool for identifying drug-targetable redox-active disulphides

Nucleolysin TIAR

Intramolecular

Cysteine 38 and cysteine 51

Cysteine 209 and cysteine 272

Cysteine 35 and cysteine 38

Cysteine 35 and cysteine 51

A redox-regulated disulphide may form within Nucleolysin TIAR between cysteines 38 and 51.

Details

Redox score ?

77

PDB code

Structure name

solution structure of the rna binding domain of nucleolysin tiar

Structure deposition date

2005-05-20

Thiol separation (Å)

4

Half-sphere exposure sum ?

64

Minimum pK_a ?

8

% buried

62

Peptide accession

Residue number A

38

Residue number B

51

Peptide name

Nucleolysin TIAR

Ligandability

Cysteine 38 of Nucleolysin TIAR

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 51 of Nucleolysin TIAR

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 Nucleolysin TIAR between cysteines 209 and 272 (30 and 93 respectively in this structure).

Details

Redox score ?

70

PDB code

Structure name

solution structure of rrm domain in nucleolysin tiar

Structure deposition date

2005-05-14

Thiol separation (Å)

4

Half-sphere exposure sum ?

80

Minimum pK_a ?

8

% buried

83

Peptide accession

Residue number A

209

Residue number B

272

Peptide name

Nucleolysin TIAR

Ligandability

Cysteine 209 of Nucleolysin TIAR

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 272 of Nucleolysin TIAR

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 Nucleolysin TIAR between cysteines 35 and 38.

Details

Redox score ?

62

PDB code

Structure name

solution structure of the rna binding domain of nucleolysin tiar

Structure deposition date

2005-05-20

Thiol separation (Å)

7

Half-sphere exposure sum ?

59

Minimum pK_a ?

8

% buried

44

Peptide accession

Residue number A

35

Residue number B

38

Peptide name

Nucleolysin TIAR

Ligandability

Cysteine 35 of Nucleolysin TIAR

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 38 of Nucleolysin TIAR

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 Nucleolysin TIAR between cysteines 35 and 51. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

37

PDB code

Structure name

solution structure of the rna binding domain of nucleolysin tiar

Structure deposition date

2005-05-20

Thiol separation (Å)

10

Half-sphere exposure sum ?

65

Minimum pK_a ?

11

% buried

56

Peptide accession

Residue number A

35

Residue number B

51

Peptide name

Nucleolysin TIAR

Ligandability

Cysteine 35 of Nucleolysin TIAR

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 51 of Nucleolysin TIAR

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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