ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Nucleic acid dioxygenase ALKBH1

Intramolecular
Cysteine 322 and cysteine 330
Cysteine 118 and cysteine 330
A redox-regulated disulphide may form within Nucleic acid dioxygenase ALKBH1 between cysteines 322 and 330. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
6ie2
Structure name
crystal structure of methyladenine demethylase
Structure deposition date
2018-09-13
Thiol separation (Å)
6
Half-sphere exposure sum ?
73
Minimum pKa ?
11
% buried
83
Peptide accession
Q13686
Residue number A
322
Residue number B
330
Peptide name
Nucleic acid dioxygenase ALKBH1

Ligandability

Cysteine 322 of Nucleic acid dioxygenase ALKBH1

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 330 of Nucleic acid dioxygenase ALKBH1

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 Nucleic acid dioxygenase ALKBH1 between cysteines 118 and 330. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
6ie2
Structure name
crystal structure of methyladenine demethylase
Structure deposition date
2018-09-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
80
Minimum pKa ?
13
% buried
100
Peptide accession
Q13686
Residue number A
118
Residue number B
330
Peptide name
Nucleic acid dioxygenase ALKBH1

Ligandability

Cysteine 118 of Nucleic acid dioxygenase ALKBH1

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 330 of Nucleic acid dioxygenase ALKBH1

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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