ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Endothelin-converting enzyme 1

Intramolecular
Cysteine 122 and cysteine 755
Cysteine 185 and cysteine 435
Cysteine 130 and cysteine 715
Cysteine 644 and cysteine 767
A redox-regulated disulphide may form within Endothelin-converting enzyme 1 between cysteines 122 and 755.

Details

Redox score ?
88
PDB code
3dwb
Structure name
structure of human ece-1 complexed with phosphoramidon
Structure deposition date
2008-07-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P42892
Residue number A
122
Residue number B
755
Peptide name
Endothelin-converting enzyme 1

Ligandability

Cysteine 122 of Endothelin-converting enzyme 1

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 755 of Endothelin-converting enzyme 1

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 Endothelin-converting enzyme 1 between cysteines 185 and 435.

Details

Redox score ?
84
PDB code
3dwb
Structure name
structure of human ece-1 complexed with phosphoramidon
Structure deposition date
2008-07-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
P42892
Residue number A
185
Residue number B
435
Peptide name
Endothelin-converting enzyme 1

Ligandability

Cysteine 185 of Endothelin-converting enzyme 1

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 435 of Endothelin-converting enzyme 1

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 Endothelin-converting enzyme 1 between cysteines 130 and 715.

Details

Redox score ?
81
PDB code
3dwb
Structure name
structure of human ece-1 complexed with phosphoramidon
Structure deposition date
2008-07-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
84
Minimum pKa ?
nan
% buried
nan
Peptide accession
P42892
Residue number A
130
Residue number B
715
Peptide name
Endothelin-converting enzyme 1

Ligandability

Cysteine 130 of Endothelin-converting enzyme 1

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 715 of Endothelin-converting enzyme 1

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 Endothelin-converting enzyme 1 between cysteines 644 and 767.

Details

Redox score ?
81
PDB code
3dwb
Structure name
structure of human ece-1 complexed with phosphoramidon
Structure deposition date
2008-07-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P42892
Residue number A
644
Residue number B
767
Peptide name
Endothelin-converting enzyme 1

Ligandability

Cysteine 644 of Endothelin-converting enzyme 1

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 767 of Endothelin-converting enzyme 1

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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