ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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NAD(P)H oxidase (H2O2-forming)

Intramolecular
Cysteine 345 and cysteine 565
Cysteine 118 and cysteine 1165
Cysteine 364 and cysteine 579
Cysteine 603 and cysteine 604
A redox-regulated disulphide may form within NAD(P)H oxidase (H2O2-forming) between cysteines 345 and 565.

Details

Redox score ?
85
PDB code
6wxu
Structure name
cryoem structure of mouse duox1-duoxa1 complex in the dimer-of-dimer state
Structure deposition date
2020-05-12
Thiol separation (Å)
2
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
A2AQ92
Residue number A
345
Residue number B
565
Peptide name
NAD(P)H oxidase (H2O2-forming)

Ligandability

Cysteine 345 of NAD(P)H oxidase (H2O2-forming)

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 NAD(P)H oxidase (H2O2-forming)

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 NAD(P)H oxidase (H2O2-forming) between cysteines 118 and 1165.

Details

Redox score ?
84
PDB code
6wxv
Structure name
cryoem structure of mouse duox1-duoxa1 complex in the presence of nadph
Structure deposition date
2020-05-12
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
A2AQ92
Residue number A
118
Residue number B
1165
Peptide name
NAD(P)H oxidase (H2O2-forming)

Ligandability

Cysteine 118 of NAD(P)H oxidase (H2O2-forming)

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 NAD(P)H oxidase (H2O2-forming)

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 NAD(P)H oxidase (H2O2-forming) between cysteines 364 and 579.

Details

Redox score ?
84
PDB code
6wxu
Structure name
cryoem structure of mouse duox1-duoxa1 complex in the dimer-of-dimer state
Structure deposition date
2020-05-12
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
A2AQ92
Residue number A
364
Residue number B
579
Peptide name
NAD(P)H oxidase (H2O2-forming)

Ligandability

Cysteine 364 of NAD(P)H oxidase (H2O2-forming)

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 NAD(P)H oxidase (H2O2-forming)

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 NAD(P)H oxidase (H2O2-forming) between cysteines 603 and 604.

Details

Redox score ?
63
PDB code
6wxv
Structure name
cryoem structure of mouse duox1-duoxa1 complex in the presence of nadph
Structure deposition date
2020-05-12
Thiol separation (Å)
6
Half-sphere exposure sum ?
39
Minimum pKa ?
9
% buried
2
Peptide accession
A2AQ92
Residue number A
603
Residue number B
604
Peptide name
NAD(P)H oxidase (H2O2-forming)

Ligandability

Cysteine 603 of NAD(P)H oxidase (H2O2-forming)

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 NAD(P)H oxidase (H2O2-forming)

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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