ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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DNA topoisomerase 3-beta-1

Intramolecular
Cysteine 36 and cysteine 58
Cysteine 442 and cysteine 470
Cysteine 225 and cysteine 522
Cysteine 118 and cysteine 126
A redox-regulated disulphide may form within DNA topoisomerase 3-beta-1 between cysteines 36 and 58. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
5gvc
Structure name
human topoisomerase iiib topo domain
Structure deposition date
2016-09-05
Thiol separation (Å)
6
Half-sphere exposure sum ?
70
Minimum pKa ?
10
% buried
72
Peptide accession
O95985
Residue number A
36
Residue number B
58
Peptide name
DNA topoisomerase 3-beta-1

Ligandability

Cysteine 36 of DNA topoisomerase 3-beta-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 58 of DNA topoisomerase 3-beta-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 DNA topoisomerase 3-beta-1 between cysteines 442 and 470. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
5gve
Structure name
human top3b-tdrd3 complex
Structure deposition date
2016-09-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
56
Minimum pKa ?
10
% buried
44
Peptide accession
O95985
Residue number A
442
Residue number B
470
Peptide name
DNA topoisomerase 3-beta-1

Ligandability

Cysteine 442 of DNA topoisomerase 3-beta-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 470 of DNA topoisomerase 3-beta-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 DNA topoisomerase 3-beta-1 between cysteines 225 and 522. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
5gvc
Structure name
human topoisomerase iiib topo domain
Structure deposition date
2016-09-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
12
% buried
87
Peptide accession
O95985
Residue number A
225
Residue number B
522
Peptide name
DNA topoisomerase 3-beta-1

Ligandability

Cysteine 225 of DNA topoisomerase 3-beta-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 522 of DNA topoisomerase 3-beta-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 DNA topoisomerase 3-beta-1 between cysteines 118 and 126. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
5gvc
Structure name
human topoisomerase iiib topo domain
Structure deposition date
2016-09-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
82
Minimum pKa ?
10
% buried
99
Peptide accession
O95985
Residue number A
118
Residue number B
126
Peptide name
DNA topoisomerase 3-beta-1

Ligandability

Cysteine 118 of DNA topoisomerase 3-beta-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 126 of DNA topoisomerase 3-beta-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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