ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Peroxiredoxin-1

Intermolecular
Cysteine 173 and cysteine 52
Cysteine 52 and cysteine 99 of Sulfiredoxin-1
Cysteine 83 and cysteine 83 L
A redox-regulated disulphide is known to form between two units of Peroxiredoxin-1 at cysteines 173 and 52.

Details

Redox score ?
82
PDB code
4xcs
Structure name
human peroxiredoxin-1 c83s mutant
Structure deposition date
2014-12-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide A name
Peroxiredoxin-1
Peptide B name
Peroxiredoxin-1
Peptide A accession
Q06830
Peptide B accession
Q06830
Peptide A residue number
173
Peptide B residue number
52

Ligandability

Cysteine 173 of Peroxiredoxin-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 52 of Peroxiredoxin-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 between cysteine 52 of Peroxiredoxin-1 and cysteine 99 of Sulfiredoxin-1.

Details

Redox score ?
80
PDB code
2rii
Structure name
crystal structure of human peroxiredoxin i in complex with sulfiredoxin
Structure deposition date
2007-10-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide A name
Peroxiredoxin-1
Peptide B name
Sulfiredoxin-1
Peptide A accession
Q06830
Peptide B accession
Q9BYN0
Peptide A residue number
52
Peptide B residue number
99

Ligandability

Cysteine 52 of Peroxiredoxin-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 99 of Sulfiredoxin-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 between two units of Peroxiredoxin-1 at cysteines 83 and 83. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
2z9s
Structure name
crystal structure analysis of rat hbp23/peroxiredoxin i, cys52ser mutant
Structure deposition date
2007-09-25
Thiol separation (Å)
4
Half-sphere exposure sum ?
81
Minimum pKa ?
14
% buried
100
Peptide A name
Peroxiredoxin-1
Peptide B name
Peroxiredoxin-1
Peptide A accession
Q63716
Peptide B accession
Q63716
Peptide A residue number
83
Peptide B residue number
83

Ligandability

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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