ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Peroxiredoxin-4

Intermolecular
Cysteine 55 of Protein disulfide-isomerase A6 and cysteine 248 L
Cysteine 217 of Thioredoxin domain-containing protein 5 and cysteine 248 L
Cysteine 127 and cysteine 248 L
Cysteine 245 and cysteine 58 of Endoplasmic reticulum resident protein 44 L
A redox-regulated disulphide may form between cysteine 55 of Protein disulfide-isomerase A6 and cysteine 248 of Peroxiredoxin-4 (55 and 2 respectively in this structure).

Details

Redox score ?
87
PDB code
3w8j
Structure name
crystal structure of p5 a0 in a complex with prx4 c-term
Structure deposition date
2013-03-13
Thiol separation (Å)
2
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide A name
Protein disulfide-isomerase A6
Peptide B name
Peroxiredoxin-4
Peptide A accession
Q15084
Peptide B accession
O08807
Peptide A residue number
55
Peptide B residue number
248

Ligandability

Cysteine 55 of Protein disulfide-isomerase A6

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.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 248 of Peroxiredoxin-4

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.

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 217 of Thioredoxin domain-containing protein 5 and cysteine 248 of Peroxiredoxin-4 (217 and 298 respectively in this structure).

Details

Redox score ?
87
PDB code
3wgx
Structure name
crystal structure of erp46 trx2 in a complex with prx4 c-term
Structure deposition date
2013-08-13
Thiol separation (Å)
2
Half-sphere exposure sum ?
45
Minimum pKa ?
nan
% buried
nan
Peptide A name
Thioredoxin domain-containing protein 5
Peptide B name
Peroxiredoxin-4
Peptide A accession
Q8NBS9
Peptide B accession
O08807
Peptide A residue number
217
Peptide B residue number
248

Ligandability

Cysteine 217 of Thioredoxin domain-containing protein 5

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.

Not ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

Cysteine 248 of Peroxiredoxin-4

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.

Ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide is known to form between two units of Peroxiredoxin-4 at cysteines 127 and 248.

Details

Redox score ?
85
PDB code
3vwv
Structure name
crystal structure of n-terminally truncated peroxiredoxin 4 from m
Structure deposition date
2012-09-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide A name
Peroxiredoxin-4
Peptide B name
Peroxiredoxin-4
Peptide A accession
O08807
Peptide B accession
O08807
Peptide A residue number
127
Peptide B residue number
248

Ligandability

Cysteine 127 of Peroxiredoxin-4

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 248 of Peroxiredoxin-4

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.

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 245 of Peroxiredoxin-4 and cysteine 58 of Endoplasmic reticulum resident protein 44 (245 and 29 respectively in this structure).

Details

Redox score ?
82
PDB code
5hqp
Structure name
crystal structure of the erp44-peroxiredoxin 4 complex
Structure deposition date
2016-01-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide A name
Peroxiredoxin-4
Peptide B name
Endoplasmic reticulum resident protein 44
Peptide A accession
Q13162
Peptide B accession
Q9BS26
Peptide A residue number
245
Peptide B residue number
58

Ligandability

Cysteine 245 of Peroxiredoxin-4

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.

Ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 58 of Endoplasmic reticulum resident protein 44

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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