ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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2-aminoethanethiol dioxygenase

Intramolecular
Cysteine 132 and cysteine 183
Cysteine 206 and cysteine 244
A redox-regulated disulphide may form within 2-aminoethanethiol dioxygenase between cysteines 132 and 183. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
7rei
Structure name
the crystal structure of nickel bound human ado c18s c239s variant
Structure deposition date
2021-07-12
Thiol separation (Å)
6
Half-sphere exposure sum ?
75
Minimum pKa ?
9
% buried
80
Peptide accession
Q96SZ5
Residue number A
132
Residue number B
183
Peptide name
2-aminoethanethiol dioxygenase

Ligandability

Cysteine 132 of 2-aminoethanethiol dioxygenase

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 2-aminoethanethiol dioxygenase

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 2-aminoethanethiol dioxygenase between cysteines 206 and 244. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
7lvz
Structure name
crystal structure of ado
Structure deposition date
2021-02-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
55
Minimum pKa ?
9
% buried
70
Peptide accession
Q6PDY2
Residue number A
206
Residue number B
244
Peptide name
2-aminoethanethiol dioxygenase

Ligandability

Cysteine 206 of 2-aminoethanethiol dioxygenase

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 244 of 2-aminoethanethiol dioxygenase

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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