ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cytochrome b-245 heavy chain

Intramolecular
Cysteine 244 and cysteine 257
Cysteine 369 and cysteine 371
Cysteine 329 and cysteine 369
Cysteine 72 and cysteine 282
A redox-regulated disulphide may form within Cytochrome b-245 heavy chain between cysteines 244 and 257.

Details

Redox score ?
84
PDB code
7u8g
Structure name
cryo-em structure of the core human nadph oxidase nox2
Structure deposition date
2022-03-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P04839
Residue number A
244
Residue number B
257
Peptide name
Cytochrome b-245 heavy chain

Ligandability

Cysteine 244 of Cytochrome b-245 heavy chain

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 257 of Cytochrome b-245 heavy chain

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 Cytochrome b-245 heavy chain between cysteines 369 and 371.

Details

Redox score ?
66
PDB code
8gz3
Structure name
structure of human phagocyte nadph oxidase in the resting state
Structure deposition date
2022-09-24
Thiol separation (Å)
5
Half-sphere exposure sum ?
55
Minimum pKa ?
10
% buried
41
Peptide accession
P04839
Residue number A
369
Residue number B
371
Peptide name
Cytochrome b-245 heavy chain

Ligandability

Cysteine 369 of Cytochrome b-245 heavy chain

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 371 of Cytochrome b-245 heavy chain

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 Cytochrome b-245 heavy chain between cysteines 329 and 369. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
8gz3
Structure name
structure of human phagocyte nadph oxidase in the resting state
Structure deposition date
2022-09-24
Thiol separation (Å)
8
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
57
Peptide accession
P04839
Residue number A
329
Residue number B
369
Peptide name
Cytochrome b-245 heavy chain

Ligandability

Cysteine 329 of Cytochrome b-245 heavy chain

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 369 of Cytochrome b-245 heavy chain

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 Cytochrome b-245 heavy chain between cysteines 72 and 282. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7u8g
Structure name
cryo-em structure of the core human nadph oxidase nox2
Structure deposition date
2022-03-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
39
Minimum pKa ?
9
% buried
16
Peptide accession
P04839
Residue number A
72
Residue number B
282
Peptide name
Cytochrome b-245 heavy chain

Ligandability

Cysteine 72 of Cytochrome b-245 heavy chain

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 282 of Cytochrome b-245 heavy chain

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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