ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Acylamino-acid-releasing enzyme

Intermolecular
Cysteine 64 and cysteine 64
Intramolecular
Cysteine 594 and cysteine 607
Cysteine 149 and cysteine 275
Cysteine 30 and cysteine 64
Cysteine 629 and cysteine 641 L
Cysteine 328 and cysteine 361
Cysteine 152 and cysteine 225
Cysteine 361 and cysteine 368
A redox-regulated disulphide may form between two units of Acylamino-acid-releasing enzyme at cysteines 64 and 64. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
7qun
Structure name
cryoem structure of mammalian aap in complex with meropenem
Structure deposition date
2022-01-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
79
Minimum pKa ?
11
% buried
100
Peptide A name
Acylamino-acid-releasing enzyme
Peptide B name
Acylamino-acid-releasing enzyme
Peptide A accession
P19205
Peptide B accession
P19205
Peptide A residue number
64
Peptide B residue number
64

Ligandability

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 Acylamino-acid-releasing enzyme between cysteines 594 and 607. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7px8
Structure name
cryoem structure of mammalian acylaminoacyl-peptidase
Structure deposition date
2021-10-08
Thiol separation (Å)
6
Half-sphere exposure sum ?
100
Minimum pKa ?
12
% buried
100
Peptide accession
P19205
Residue number A
594
Residue number B
607
Peptide name
Acylamino-acid-releasing enzyme

Ligandability

Cysteine 594 of Acylamino-acid-releasing enzyme

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 607 of Acylamino-acid-releasing enzyme

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 Acylamino-acid-releasing enzyme between cysteines 149 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
7px8
Structure name
cryoem structure of mammalian acylaminoacyl-peptidase
Structure deposition date
2021-10-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
78
Peptide accession
P19205
Residue number A
149
Residue number B
275
Peptide name
Acylamino-acid-releasing enzyme

Ligandability

Cysteine 149 of Acylamino-acid-releasing enzyme

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 Acylamino-acid-releasing enzyme

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 Acylamino-acid-releasing enzyme between cysteines 30 and 64. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
7qun
Structure name
cryoem structure of mammalian aap in complex with meropenem
Structure deposition date
2022-01-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
78
Minimum pKa ?
11
% buried
94
Peptide accession
P19205
Residue number A
30
Residue number B
64
Peptide name
Acylamino-acid-releasing enzyme

Ligandability

Cysteine 30 of Acylamino-acid-releasing enzyme

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 64 of Acylamino-acid-releasing enzyme

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 Acylamino-acid-releasing enzyme between cysteines 629 and 641. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
7px8
Structure name
cryoem structure of mammalian acylaminoacyl-peptidase
Structure deposition date
2021-10-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
65
Minimum pKa ?
10
% buried
72
Peptide accession
P19205
Residue number A
629
Residue number B
641
Peptide name
Acylamino-acid-releasing enzyme

Ligandability

Cysteine 629 of Acylamino-acid-releasing enzyme

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 641 of Acylamino-acid-releasing enzyme

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.

A redox-regulated disulphide may form within Acylamino-acid-releasing enzyme between cysteines 328 and 361. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
7qun
Structure name
cryoem structure of mammalian aap in complex with meropenem
Structure deposition date
2022-01-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
81
Minimum pKa ?
10
% buried
93
Peptide accession
P19205
Residue number A
328
Residue number B
361
Peptide name
Acylamino-acid-releasing enzyme

Ligandability

Cysteine 328 of Acylamino-acid-releasing enzyme

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 361 of Acylamino-acid-releasing enzyme

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 Acylamino-acid-releasing enzyme between cysteines 152 and 225. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
7qun
Structure name
cryoem structure of mammalian aap in complex with meropenem
Structure deposition date
2022-01-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
11
% buried
92
Peptide accession
P19205
Residue number A
152
Residue number B
225
Peptide name
Acylamino-acid-releasing enzyme

Ligandability

Cysteine 152 of Acylamino-acid-releasing enzyme

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 225 of Acylamino-acid-releasing enzyme

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 Acylamino-acid-releasing enzyme between cysteines 361 and 368. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
26
PDB code
7qun
Structure name
cryoem structure of mammalian aap in complex with meropenem
Structure deposition date
2022-01-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
76
Minimum pKa ?
11
% buried
96
Peptide accession
P19205
Residue number A
361
Residue number B
368
Peptide name
Acylamino-acid-releasing enzyme

Ligandability

Cysteine 361 of Acylamino-acid-releasing enzyme

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 368 of Acylamino-acid-releasing enzyme

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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