ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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DNA-3-methyladenine glycosylase

Intramolecular
Cysteine 167 and cysteine 222
Cysteine 215 and cysteine 222
A redox-regulated disulphide may form within DNA-3-methyladenine glycosylase between cysteines 167 and 222. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
1f4r
Structure name
crystal structure of the human aag dna repair glycosylase complexed with 1,n6-ethenoadenine-dna
Structure deposition date
2000-06-08
Thiol separation (Å)
6
Half-sphere exposure sum ?
78
Minimum pKa ?
13
% buried
100
Peptide accession
P29372
Residue number A
167
Residue number B
222
Peptide name
DNA-3-methyladenine glycosylase

Ligandability

Cysteine 167 of DNA-3-methyladenine glycosylase

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 222 of DNA-3-methyladenine glycosylase

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-3-methyladenine glycosylase between cysteines 215 and 222. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
1ewn
Structure name
crystal structure of the human aag dna repair glycosylase complexed with 1,n6-ethenoadenine-dna
Structure deposition date
2000-04-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
98
Peptide accession
P29372
Residue number A
215
Residue number B
222
Peptide name
DNA-3-methyladenine glycosylase

Ligandability

Cysteine 215 of DNA-3-methyladenine glycosylase

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 222 of DNA-3-methyladenine glycosylase

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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