ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Peroxisome proliferator-activated receptor alpha

Intramolecular
Cysteine 275 and cysteine 278
Cysteine 276 and cysteine 278
Cysteine 248 and cysteine 275
Cysteine 384 and cysteine 385
Cysteine 275 and cysteine 276
A redox-regulated disulphide may form within Peroxisome proliferator-activated receptor alpha between cysteines 275 and 278.

Details

Redox score ?
84
PDB code
1kkq
Structure name
crystal structure of the human ppar-alpha ligand-binding domain in complex with an antagonist gw6471 and a smrt corepressor motif
Structure deposition date
2001-12-10
Thiol separation (Å)
3
Half-sphere exposure sum ?
48
Minimum pKa ?
5
% buried
59
Peptide accession
Q07869
Residue number A
275
Residue number B
278
Peptide name
Peroxisome proliferator-activated receptor alpha

Ligandability

Cysteine 275 of Peroxisome proliferator-activated receptor alpha

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 278 of Peroxisome proliferator-activated receptor alpha

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 Peroxisome proliferator-activated receptor alpha between cysteines 276 and 278. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
6lxb
Structure name
x-ray structure of human pparalpha ligand binding domain-saroglitazar co-crystals obtained by soaking
Structure deposition date
2020-02-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
51
Minimum pKa ?
10
% buried
66
Peptide accession
Q07869
Residue number A
276
Residue number B
278
Peptide name
Peroxisome proliferator-activated receptor alpha

Ligandability

Cysteine 276 of Peroxisome proliferator-activated receptor alpha

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 278 of Peroxisome proliferator-activated receptor alpha

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 Peroxisome proliferator-activated receptor alpha between cysteines 248 and 275. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
1kkq
Structure name
crystal structure of the human ppar-alpha ligand-binding domain in complex with an antagonist gw6471 and a smrt corepressor motif
Structure deposition date
2001-12-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
55
Minimum pKa ?
9
% buried
46
Peptide accession
Q07869
Residue number A
248
Residue number B
275
Peptide name
Peroxisome proliferator-activated receptor alpha

Ligandability

Cysteine 248 of Peroxisome proliferator-activated receptor alpha

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 275 of Peroxisome proliferator-activated receptor alpha

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 Peroxisome proliferator-activated receptor alpha between cysteines 384 and 385. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
6l36
Structure name
x-ray structure of human pparalpha ligand binding domain-gw9662- fenofibric acid co-crystals obtained by delipidation and co- crystallization
Structure deposition date
2019-10-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
86
Minimum pKa ?
10
% buried
87
Peptide accession
Q07869
Residue number A
384
Residue number B
385
Peptide name
Peroxisome proliferator-activated receptor alpha

Ligandability

Cysteine 384 of Peroxisome proliferator-activated receptor alpha

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 385 of Peroxisome proliferator-activated receptor alpha

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 Peroxisome proliferator-activated receptor alpha between cysteines 275 and 276. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
1kkq
Structure name
crystal structure of the human ppar-alpha ligand-binding domain in complex with an antagonist gw6471 and a smrt corepressor motif
Structure deposition date
2001-12-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
48
Minimum pKa ?
14
% buried
86
Peptide accession
Q07869
Residue number A
275
Residue number B
276
Peptide name
Peroxisome proliferator-activated receptor alpha

Ligandability

Cysteine 275 of Peroxisome proliferator-activated receptor alpha

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 276 of Peroxisome proliferator-activated receptor alpha

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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