a tool for identifying drug-targetable redox-active disulphides

Protein tweety homolog 1

Intermolecular

Cysteine 102 and cysteine 102

Intramolecular

Cysteine 303 and cysteine 370

Cysteine 275 and cysteine 385

Cysteine 102 and cysteine 228

Cysteine 94 and cysteine 228

A redox-regulated disulphide may form between two units of Protein tweety homolog 1 at cysteines 102 and 102.

Details

Redox score ?

72

PDB code

Structure name

cryo-em structure of human ttyh1 in gdn

Structure deposition date

2021-07-14

Thiol separation (Å)

4

Half-sphere exposure sum ?

82

Minimum pK_a ?

6

% buried

72

Peptide A name

Protein tweety homolog 1

Peptide B name

Protein tweety homolog 1

Peptide A accession

Peptide B accession

Peptide A residue number

102

Peptide B residue number

102

Ligandability

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 Protein tweety homolog 1 between cysteines 303 and 370.

Details

Redox score ?

84

PDB code

Structure name

cryo-em structure of human ttyh1 in gdn

Structure deposition date

2021-07-14

Thiol separation (Å)

2

Half-sphere exposure sum ?

64

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

303

Residue number B

370

Peptide name

Protein tweety homolog 1

Ligandability

Cysteine 303 of Protein tweety homolog 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 370 of Protein tweety homolog 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 Protein tweety homolog 1 between cysteines 275 and 385.

Details

Redox score ?

81

PDB code

Structure name

cryo-em structure of human ttyh1 in gdn

Structure deposition date

2021-07-14

Thiol separation (Å)

2

Half-sphere exposure sum ?

79

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

275

Residue number B

385

Peptide name

Protein tweety homolog 1

Ligandability

Cysteine 275 of Protein tweety homolog 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 385 of Protein tweety homolog 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 Protein tweety homolog 1 between cysteines 102 and 228. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

43

PDB code

Structure name

cryo-em structure of human ttyh1 in gdn

Structure deposition date

2021-07-14

Thiol separation (Å)

7

Half-sphere exposure sum ?

79

Minimum pK_a ?

12

% buried

76

Peptide accession

Residue number A

102

Residue number B

228

Peptide name

Protein tweety homolog 1

Ligandability

Cysteine 102 of Protein tweety homolog 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 228 of Protein tweety homolog 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 Protein tweety homolog 1 between cysteines 94 and 228. 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

cryo-em structure of human ttyh1 in gdn

Structure deposition date

2021-07-14

Thiol separation (Å)

10

Half-sphere exposure sum ?

69

Minimum pK_a ?

11

% buried

81

Peptide accession

Residue number A

94

Residue number B

228

Peptide name

Protein tweety homolog 1

Ligandability

Cysteine 94 of Protein tweety homolog 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 228 of Protein tweety homolog 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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