ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Presequence protease, mitochondrial

Intramolecular
Cysteine 119 and cysteine 556
Cysteine 627 and cysteine 692
Cysteine 119 and cysteine 171
Cysteine 171 and cysteine 556
Cysteine 112 and cysteine 171
Cysteine 112 and cysteine 119
A redox-regulated disulphide may form within Presequence protease, mitochondrial between cysteines 119 and 556.

Details

Redox score ?
74
PDB code
4rpu
Structure name
crystal structure of human presequence protease in complex with inhibitor mitoblock-60
Structure deposition date
2014-10-31
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
9
% buried
40
Peptide accession
Q5JRX3
Residue number A
119
Residue number B
556
Peptide name
Presequence protease, mitochondrial

Ligandability

Cysteine 119 of Presequence protease, mitochondrial

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 556 of Presequence protease, mitochondrial

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 Presequence protease, mitochondrial between cysteines 627 and 692. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
4nge
Structure name
crystal structure of human presequence protease in complex with amyloid-beta (1-40)
Structure deposition date
2013-11-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
9
% buried
46
Peptide accession
Q5JRX3
Residue number A
627
Residue number B
692
Peptide name
Presequence protease, mitochondrial

Ligandability

Cysteine 627 of Presequence protease, mitochondrial

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 692 of Presequence protease, mitochondrial

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 Presequence protease, mitochondrial between cysteines 119 and 171. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
4rpu
Structure name
crystal structure of human presequence protease in complex with inhibitor mitoblock-60
Structure deposition date
2014-10-31
Thiol separation (Å)
9
Half-sphere exposure sum ?
55
Minimum pKa ?
10
% buried
50
Peptide accession
Q5JRX3
Residue number A
119
Residue number B
171
Peptide name
Presequence protease, mitochondrial

Ligandability

Cysteine 119 of Presequence protease, mitochondrial

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 171 of Presequence protease, mitochondrial

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 Presequence protease, mitochondrial between cysteines 171 and 556. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
4rpu
Structure name
crystal structure of human presequence protease in complex with inhibitor mitoblock-60
Structure deposition date
2014-10-31
Thiol separation (Å)
10
Half-sphere exposure sum ?
49
Minimum pKa ?
9
% buried
34
Peptide accession
Q5JRX3
Residue number A
171
Residue number B
556
Peptide name
Presequence protease, mitochondrial

Ligandability

Cysteine 171 of Presequence protease, mitochondrial

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 556 of Presequence protease, mitochondrial

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 Presequence protease, mitochondrial between cysteines 112 and 171. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
6xos
Structure name
cryoem structure of human presequence protease in partial open state 1
Structure deposition date
2020-07-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
65
Minimum pKa ?
10
% buried
74
Peptide accession
Q5JRX3
Residue number A
112
Residue number B
171
Peptide name
Presequence protease, mitochondrial

Ligandability

Cysteine 112 of Presequence protease, mitochondrial

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 171 of Presequence protease, mitochondrial

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 Presequence protease, mitochondrial between cysteines 112 and 119. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
6xot
Structure name
cryoem structure of human presequence protease in partial open state 2
Structure deposition date
2020-07-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
77
Peptide accession
Q5JRX3
Residue number A
112
Residue number B
119
Peptide name
Presequence protease, mitochondrial

Ligandability

Cysteine 112 of Presequence protease, mitochondrial

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 119 of Presequence protease, mitochondrial

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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