ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Xaa-Pro aminopeptidase 3

Intramolecular
Cysteine 290 and cysteine 334
Cysteine 371 and cysteine 375
Cysteine 371 and cysteine 418
A redox-regulated disulphide may form within Xaa-Pro aminopeptidase 3 between cysteines 290 and 334.

Details

Redox score ?
65
PDB code
5x49
Structure name
crystal structure of human mitochondrial x-prolyl aminopeptidase (xpnpep3)
Structure deposition date
2017-02-10
Thiol separation (Å)
4
Half-sphere exposure sum ?
88
Minimum pKa ?
8
% buried
100
Peptide accession
Q9NQH7
Residue number A
290
Residue number B
334
Peptide name
Xaa-Pro aminopeptidase 3

Ligandability

Cysteine 290 of Xaa-Pro aminopeptidase 3

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 334 of Xaa-Pro aminopeptidase 3

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 Xaa-Pro aminopeptidase 3 between cysteines 371 and 375. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
5x49
Structure name
crystal structure of human mitochondrial x-prolyl aminopeptidase (xpnpep3)
Structure deposition date
2017-02-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
92
Peptide accession
Q9NQH7
Residue number A
371
Residue number B
375
Peptide name
Xaa-Pro aminopeptidase 3

Ligandability

Cysteine 371 of Xaa-Pro aminopeptidase 3

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 375 of Xaa-Pro aminopeptidase 3

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 Xaa-Pro aminopeptidase 3 between cysteines 371 and 418. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
5x49
Structure name
crystal structure of human mitochondrial x-prolyl aminopeptidase (xpnpep3)
Structure deposition date
2017-02-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
76
Minimum pKa ?
11
% buried
95
Peptide accession
Q9NQH7
Residue number A
371
Residue number B
418
Peptide name
Xaa-Pro aminopeptidase 3

Ligandability

Cysteine 371 of Xaa-Pro aminopeptidase 3

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 418 of Xaa-Pro aminopeptidase 3

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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