ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Angiotensin-converting enzyme

Intramolecular
Cysteine 343 and cysteine 360
Cysteine 529 and cysteine 541
Cysteine 497 and cysteine 501
A redox-regulated disulphide may form within Angiotensin-converting enzyme between cysteines 343 and 360.

Details

Redox score ?
82
PDB code
7wse
Structure name
cryo-em structure of sars-cov-2 spike receptor-binding domain complexed with its receptor minke whale ace2
Structure deposition date
2022-01-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A452CBT6
Residue number A
343
Residue number B
360
Peptide name
Angiotensin-converting enzyme

Ligandability

Cysteine 343 of Angiotensin-converting 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 360 of Angiotensin-converting 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 Angiotensin-converting enzyme between cysteines 529 and 541.

Details

Redox score ?
82
PDB code
7wse
Structure name
cryo-em structure of sars-cov-2 spike receptor-binding domain complexed with its receptor minke whale ace2
Structure deposition date
2022-01-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A452CBT6
Residue number A
529
Residue number B
541
Peptide name
Angiotensin-converting enzyme

Ligandability

Cysteine 529 of Angiotensin-converting 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 541 of Angiotensin-converting 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 Angiotensin-converting enzyme between cysteines 497 and 501. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7wsf
Structure name
cryo-em structure of sars-cov spike receptor-binding domain in complex with minke whale ace2
Structure deposition date
2022-01-29
Thiol separation (Å)
7
Half-sphere exposure sum ?
76
Minimum pKa ?
12
% buried
100
Peptide accession
A0A452CBT6
Residue number A
497
Residue number B
501
Peptide name
Angiotensin-converting enzyme

Ligandability

Cysteine 497 of Angiotensin-converting 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 501 of Angiotensin-converting 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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