ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

Dual oxidase 1

Intramolecular
Cysteine 345 and cysteine 565
Cysteine 364 and cysteine 579
Cysteine 118 and cysteine 1165
Cysteine 603 and cysteine 604
A redox-regulated disulphide may form within Dual oxidase 1 between cysteines 345 and 565.

Details

Redox score ?
85
PDB code
7d3f
Structure name
cryo-em structure of human duox1-duoxa1 in high-calcium state
Structure deposition date
2020-09-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NRD9
Residue number A
345
Residue number B
565
Peptide name
Dual oxidase 1

Ligandability

Cysteine 345 of Dual oxidase 1

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 565 of Dual oxidase 1

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 Dual oxidase 1 between cysteines 364 and 579.

Details

Redox score ?
82
PDB code
7d3e
Structure name
cryo-em structure of human duox1-duoxa1 in low-calcium state
Structure deposition date
2020-09-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NRD9
Residue number A
364
Residue number B
579
Peptide name
Dual oxidase 1

Ligandability

Cysteine 364 of Dual oxidase 1

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 579 of Dual oxidase 1

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 Dual oxidase 1 between cysteines 118 and 1165.

Details

Redox score ?
80
PDB code
7d3f
Structure name
cryo-em structure of human duox1-duoxa1 in high-calcium state
Structure deposition date
2020-09-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NRD9
Residue number A
118
Residue number B
1165
Peptide name
Dual oxidase 1

Ligandability

Cysteine 118 of Dual oxidase 1

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 1165 of Dual oxidase 1

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 Dual oxidase 1 between cysteines 603 and 604. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
7d3f
Structure name
cryo-em structure of human duox1-duoxa1 in high-calcium state
Structure deposition date
2020-09-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
40
Minimum pKa ?
9
% buried
6
Peptide accession
Q9NRD9
Residue number A
603
Residue number B
604
Peptide name
Dual oxidase 1

Ligandability

Cysteine 603 of Dual oxidase 1

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 604 of Dual oxidase 1

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.

If this tool was useful for finding a disulphide, please cite: