ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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DNA topoisomerase 3-alpha

Intramolecular
Cysteine 444 and cysteine 445
Cysteine 38 and cysteine 190
Cysteine 140 and cysteine 164
Cysteine 296 and cysteine 303
Cysteine 38 and cysteine 140
A redox-regulated disulphide may form within DNA topoisomerase 3-alpha between cysteines 444 and 445. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
4cht
Structure name
crystal structure of the human topoisomerase iii alpha-rmi1 complex with bound calcium ion
Structure deposition date
2013-12-04
Thiol separation (Å)
5
Half-sphere exposure sum ?
86
Minimum pKa ?
11
% buried
98
Peptide accession
Q13472
Residue number A
444
Residue number B
445
Peptide name
DNA topoisomerase 3-alpha

Ligandability

Cysteine 444 of DNA topoisomerase 3-alpha

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 445 of DNA topoisomerase 3-alpha

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-alpha between cysteines 38 and 190. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
4cgy
Structure name
crystal structure of the human topoisomerase iii alpha-rmi1 complex
Structure deposition date
2013-11-27
Thiol separation (Å)
7
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
98
Peptide accession
Q13472
Residue number A
38
Residue number B
190
Peptide name
DNA topoisomerase 3-alpha

Ligandability

Cysteine 38 of DNA topoisomerase 3-alpha

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 190 of DNA topoisomerase 3-alpha

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-alpha between cysteines 140 and 164. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
4cgy
Structure name
crystal structure of the human topoisomerase iii alpha-rmi1 complex
Structure deposition date
2013-11-27
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
12
% buried
86
Peptide accession
Q13472
Residue number A
140
Residue number B
164
Peptide name
DNA topoisomerase 3-alpha

Ligandability

Cysteine 140 of DNA topoisomerase 3-alpha

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 164 of DNA topoisomerase 3-alpha

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-alpha between cysteines 296 and 303. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
4cht
Structure name
crystal structure of the human topoisomerase iii alpha-rmi1 complex with bound calcium ion
Structure deposition date
2013-12-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
12
% buried
79
Peptide accession
Q13472
Residue number A
296
Residue number B
303
Peptide name
DNA topoisomerase 3-alpha

Ligandability

Cysteine 296 of DNA topoisomerase 3-alpha

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 303 of DNA topoisomerase 3-alpha

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-alpha between cysteines 38 and 140. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
4cgy
Structure name
crystal structure of the human topoisomerase iii alpha-rmi1 complex
Structure deposition date
2013-11-27
Thiol separation (Å)
8
Half-sphere exposure sum ?
79
Minimum pKa ?
12
% buried
89
Peptide accession
Q13472
Residue number A
38
Residue number B
140
Peptide name
DNA topoisomerase 3-alpha

Ligandability

Cysteine 38 of DNA topoisomerase 3-alpha

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 140 of DNA topoisomerase 3-alpha

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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