ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Angiotensin-converting enzyme

Intramolecular
Cysteine 344 and cysteine 361
Cysteine 133 and cysteine 141
Cysteine 530 and cysteine 542
A redox-regulated disulphide may form within Angiotensin-converting enzyme between cysteines 344 and 361.

Details

Redox score ?
84
PDB code
7c8j
Structure name
structural basis for cross-species recognition of covid-19 virus spike receptor binding domain to bat ace2
Structure deposition date
2020-06-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
E2DHI3
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 133 and 141.

Details

Redox score ?
84
PDB code
7c8j
Structure name
structural basis for cross-species recognition of covid-19 virus spike receptor binding domain to bat ace2
Structure deposition date
2020-06-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
46
Minimum pKa ?
nan
% buried
nan
Peptide accession
E2DHI3
Residue number A
133
Residue number B
141
Peptide name
Angiotensin-converting enzyme

Ligandability

Cysteine 133 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 141 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
7c8j
Structure name
structural basis for cross-species recognition of covid-19 virus spike receptor binding domain to bat ace2
Structure deposition date
2020-06-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
E2DHI3
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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