ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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DNA-(apurinic or apyrimidinic site) lyase

Intramolecular
Cysteine 294 and cysteine 321
Cysteine 294 and cysteine 318
Cysteine 318 and cysteine 321
Cysteine 136 and cysteine 188
Cysteine 136 and cysteine 183
A redox-regulated disulphide may form within DNA-(apurinic or apyrimidinic site) lyase between cysteines 294 and 321.

Details

Redox score ?
88
PDB code
6vji
Structure name
structure of mammalian neil2 from monodelphis domestica
Structure deposition date
2020-01-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
6
% buried
0
Peptide accession
F7AMK3
Residue number A
294
Residue number B
321
Peptide name
DNA-(apurinic or apyrimidinic site) lyase

Ligandability

Cysteine 294 of DNA-(apurinic or apyrimidinic site) lyase

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 321 of DNA-(apurinic or apyrimidinic site) lyase

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-(apurinic or apyrimidinic site) lyase between cysteines 294 and 318.

Details

Redox score ?
86
PDB code
6vji
Structure name
structure of mammalian neil2 from monodelphis domestica
Structure deposition date
2020-01-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
6
% buried
3
Peptide accession
F7AMK3
Residue number A
294
Residue number B
318
Peptide name
DNA-(apurinic or apyrimidinic site) lyase

Ligandability

Cysteine 294 of DNA-(apurinic or apyrimidinic site) lyase

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 318 of DNA-(apurinic or apyrimidinic site) lyase

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-(apurinic or apyrimidinic site) lyase between cysteines 318 and 321.

Details

Redox score ?
82
PDB code
6vji
Structure name
structure of mammalian neil2 from monodelphis domestica
Structure deposition date
2020-01-16
Thiol separation (Å)
3
Half-sphere exposure sum ?
61
Minimum pKa ?
8
% buried
3
Peptide accession
F7AMK3
Residue number A
318
Residue number B
321
Peptide name
DNA-(apurinic or apyrimidinic site) lyase

Ligandability

Cysteine 318 of DNA-(apurinic or apyrimidinic site) lyase

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 321 of DNA-(apurinic or apyrimidinic site) lyase

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-(apurinic or apyrimidinic site) lyase between cysteines 136 and 188.

Details

Redox score ?
71
PDB code
6vji
Structure name
structure of mammalian neil2 from monodelphis domestica
Structure deposition date
2020-01-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
8
% buried
76
Peptide accession
F7AMK3
Residue number A
136
Residue number B
188
Peptide name
DNA-(apurinic or apyrimidinic site) lyase

Ligandability

Cysteine 136 of DNA-(apurinic or apyrimidinic site) lyase

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 188 of DNA-(apurinic or apyrimidinic site) lyase

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-(apurinic or apyrimidinic site) lyase between cysteines 136 and 183. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
6vji
Structure name
structure of mammalian neil2 from monodelphis domestica
Structure deposition date
2020-01-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
64
Minimum pKa ?
8
% buried
76
Peptide accession
F7AMK3
Residue number A
136
Residue number B
183
Peptide name
DNA-(apurinic or apyrimidinic site) lyase

Ligandability

Cysteine 136 of DNA-(apurinic or apyrimidinic site) lyase

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 183 of DNA-(apurinic or apyrimidinic site) lyase

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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