ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Angiotensin-converting enzyme

Intramolecular
Cysteine 134 and cysteine 142
Cysteine 344 and cysteine 361
Cysteine 530 and cysteine 542
A redox-regulated disulphide may form within Angiotensin-converting enzyme between cysteines 134 and 142.

Details

Redox score ?
83
PDB code
7wpz
Structure name
structure of pdf-2180-cov rbd binding to bat37 ace2
Structure deposition date
2022-01-24
Thiol separation (Å)
2
Half-sphere exposure sum ?
46
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A7J7V5I6
Residue number A
134
Residue number B
142
Peptide name
Angiotensin-converting enzyme

Ligandability

Cysteine 134 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 142 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 344 and 361.

Details

Redox score ?
82
PDB code
7wpz
Structure name
structure of pdf-2180-cov rbd binding to bat37 ace2
Structure deposition date
2022-01-24
Thiol separation (Å)
2
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A7J7V5I6
Residue number A
344
Residue number B
361
Peptide name
Angiotensin-converting enzyme

Ligandability

Cysteine 344 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 361 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 530 and 542.

Details

Redox score ?
82
PDB code
7wpo
Structure name
structure of neocov rbd binding to bat37 ace2
Structure deposition date
2022-01-24
Thiol separation (Å)
2
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A7J7V5I6
Residue number A
530
Residue number B
542
Peptide name
Angiotensin-converting enzyme

Ligandability

Cysteine 530 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 542 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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