a tool for identifying drug-targetable redox-active disulphides

Cytotoxic granule associated RNA binding protein TIA1

Intramolecular

Cysteine 218 and cysteine 281

Cysteine 33 and cysteine 36

Cysteine 36 and cysteine 49

Cysteine 33 and cysteine 49

A redox-regulated disulphide may form within Cytotoxic granule associated RNA binding protein TIA1 between cysteines 218 and 281 (207 and 270 respectively in this structure).

Details

Redox score ?

74

PDB code

Structure name

structure, dynamics and rna binding of the multi-domain splicing factor tia-1

Structure deposition date

2014-01-13

Thiol separation (Å)

4

Half-sphere exposure sum ?

81

Minimum pK_a ?

9

% buried

86

Peptide accession

Residue number A

218

Residue number B

281

Peptide name

Cytotoxic granule associated RNA binding protein TIA1

Ligandability

Cysteine 218 of Cytotoxic granule associated RNA binding protein TIA1

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 281 of Cytotoxic granule associated RNA binding protein TIA1

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 Cytotoxic granule associated RNA binding protein TIA1 between cysteines 33 and 36.

Details

Redox score ?

67

PDB code

Structure name

nmr structure of tia-1 rrm1 domain

Structure deposition date

2017-05-22

Thiol separation (Å)

6

Half-sphere exposure sum ?

54

Minimum pK_a ?

9

% buried

16

Peptide accession

Residue number A

33

Residue number B

36

Peptide name

Cytotoxic granule associated RNA binding protein TIA1

Ligandability

Cysteine 33 of Cytotoxic granule associated RNA binding protein TIA1

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 36 of Cytotoxic granule associated RNA binding protein TIA1

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 Cytotoxic granule associated RNA binding protein TIA1 between cysteines 36 and 49. 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

nmr structure of tia-1 rrm1 domain

Structure deposition date

2017-05-22

Thiol separation (Å)

7

Half-sphere exposure sum ?

61

Minimum pK_a ?

11

% buried

36

Peptide accession

Residue number A

36

Residue number B

49

Peptide name

Cytotoxic granule associated RNA binding protein TIA1

Ligandability

Cysteine 36 of Cytotoxic granule associated RNA binding protein TIA1

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 49 of Cytotoxic granule associated RNA binding protein TIA1

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 Cytotoxic granule associated RNA binding protein TIA1 between cysteines 33 and 49. 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

nmr structure of tia-1 rrm1 domain

Structure deposition date

2017-05-22

Thiol separation (Å)

10

Half-sphere exposure sum ?

61

Minimum pK_a ?

9

% buried

36

Peptide accession

Residue number A

33

Residue number B

49

Peptide name

Cytotoxic granule associated RNA binding protein TIA1

Ligandability

Cysteine 33 of Cytotoxic granule associated RNA binding protein TIA1

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 49 of Cytotoxic granule associated RNA binding protein TIA1

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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