Angiotensin-converting enzyme

Intramolecular

A redox-regulated disulphide may form within Angiotensin-converting enzyme between cysteines 133 and 141 (116 and 124 respectively in this structure).

Details

Redox score ?

PDB code

7xa7

Structure name

crystal structure of sars-cov-2 receptor-binding domain in complex with intermediate horseshoe bat ace2

Structure deposition date

2022-03-17

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

nan

% buried

nan

Peptide accession

A0A7D7FA76

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 (513 and 525 respectively in this structure).

Details

Redox score ?

PDB code

7xa7

Structure name

crystal structure of sars-cov-2 receptor-binding domain in complex with intermediate horseshoe bat ace2

Structure deposition date

2022-03-17

Thiol separation (Å)

Half-sphere exposure sum ?

Minimum pK_a ?

nan

% buried

nan

Peptide accession

A0A7D7FA76

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.

A redox-regulated disulphide may form within Angiotensin-converting enzyme between cysteines 344 and 361 (327 and 344 respectively in this structure).