ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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DNA polymerase theta

Intermolecular
Cysteine 2527 and cysteine 2527
Intramolecular
Cysteine 344 and cysteine 350
Cysteine 335 and cysteine 377
Cysteine 238 and cysteine 556
Cysteine 1856 and cysteine 1895
Cysteine 1846 and cysteine 1960
Cysteine 1846 and cysteine 1951
Cysteine 1951 and cysteine 1960
Cysteine 1856 and cysteine 1978
Cysteine 330 and cysteine 344
A redox-regulated disulphide may form between two units of DNA polymerase theta at cysteines 2527 and 2527.

Details

Redox score ?
67
PDB code
4x0p
Structure name
ternary complex of human dna polymerase theta c-terminal domain binding ddatp opposite a tetrahydrofuran ap site analog
Structure deposition date
2014-11-21
Thiol separation (Å)
7
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
11
Peptide A name
DNA polymerase theta
Peptide B name
DNA polymerase theta
Peptide A accession
O75417
Peptide B accession
O75417
Peptide A residue number
2527
Peptide B residue number
2527

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 DNA polymerase theta between cysteines 344 and 350.

Details

Redox score ?
69
PDB code
5aga
Structure name
crystal structure of the helicase domain of human dna polymerase theta in complex with amppnp
Structure deposition date
2015-01-29
Thiol separation (Å)
4
Half-sphere exposure sum ?
73
Minimum pKa ?
8
% buried
87
Peptide accession
O75417
Residue number A
344
Residue number B
350
Peptide name
DNA polymerase theta

Ligandability

Cysteine 344 of DNA polymerase theta

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 350 of DNA polymerase theta

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 polymerase theta between cysteines 335 and 377.

Details

Redox score ?
61
PDB code
5a9j
Structure name
crystal structure of the helicase domain of human dna polymerase theta, apo-form
Structure deposition date
2015-07-21
Thiol separation (Å)
7
Half-sphere exposure sum ?
46
Minimum pKa ?
9
% buried
23
Peptide accession
O75417
Residue number A
335
Residue number B
377
Peptide name
DNA polymerase theta

Ligandability

Cysteine 335 of DNA polymerase theta

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 377 of DNA polymerase theta

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 polymerase theta between cysteines 238 and 556. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
5aga
Structure name
crystal structure of the helicase domain of human dna polymerase theta in complex with amppnp
Structure deposition date
2015-01-29
Thiol separation (Å)
6
Half-sphere exposure sum ?
64
Minimum pKa ?
10
% buried
68
Peptide accession
O75417
Residue number A
238
Residue number B
556
Peptide name
DNA polymerase theta

Ligandability

Cysteine 238 of DNA polymerase theta

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 556 of DNA polymerase theta

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 polymerase theta between cysteines 1856 and 1895. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
8e24
Structure name
human dna polymerase theta in complex with allosteric inhibitor
Structure deposition date
2022-08-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
65
Minimum pKa ?
10
% buried
40
Peptide accession
O75417
Residue number A
1856
Residue number B
1895
Peptide name
DNA polymerase theta

Ligandability

Cysteine 1856 of DNA polymerase theta

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 1895 of DNA polymerase theta

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 polymerase theta between cysteines 1846 and 1960. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
6xbu
Structure name
polymerase domain of polymerase-theta
Structure deposition date
2020-06-07
Thiol separation (Å)
10
Half-sphere exposure sum ?
44
Minimum pKa ?
9
% buried
22
Peptide accession
O75417
Residue number A
1846
Residue number B
1960
Peptide name
DNA polymerase theta

Ligandability

Cysteine 1846 of DNA polymerase theta

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 1960 of DNA polymerase theta

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 polymerase theta between cysteines 1846 and 1951. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
8e23
Structure name
human dna polymerase theta in complex with allosteric inhibitor
Structure deposition date
2022-08-13
Thiol separation (Å)
10
Half-sphere exposure sum ?
52
Minimum pKa ?
9
% buried
50
Peptide accession
O75417
Residue number A
1846
Residue number B
1951
Peptide name
DNA polymerase theta

Ligandability

Cysteine 1846 of DNA polymerase theta

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 1951 of DNA polymerase theta

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 polymerase theta between cysteines 1951 and 1960. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
4x0p
Structure name
ternary complex of human dna polymerase theta c-terminal domain binding ddatp opposite a tetrahydrofuran ap site analog
Structure deposition date
2014-11-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
71
Peptide accession
O75417
Residue number A
1951
Residue number B
1960
Peptide name
DNA polymerase theta

Ligandability

Cysteine 1951 of DNA polymerase theta

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 1960 of DNA polymerase theta

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 polymerase theta between cysteines 1856 and 1978. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
8e24
Structure name
human dna polymerase theta in complex with allosteric inhibitor
Structure deposition date
2022-08-13
Thiol separation (Å)
8
Half-sphere exposure sum ?
82
Minimum pKa ?
12
% buried
84
Peptide accession
O75417
Residue number A
1856
Residue number B
1978
Peptide name
DNA polymerase theta

Ligandability

Cysteine 1856 of DNA polymerase theta

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 1978 of DNA polymerase theta

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 polymerase theta between cysteines 330 and 344. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
5a9j
Structure name
crystal structure of the helicase domain of human dna polymerase theta, apo-form
Structure deposition date
2015-07-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
84
Minimum pKa ?
12
% buried
98
Peptide accession
O75417
Residue number A
330
Residue number B
344
Peptide name
DNA polymerase theta

Ligandability

Cysteine 330 of DNA polymerase theta

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 344 of DNA polymerase theta

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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