ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cadherin-1

Intramolecular
Cysteine 603 and cysteine 688
Cysteine 686 and cysteine 688
Cysteine 603 and cysteine 686
A redox-regulated disulphide may form within Cadherin-1 between cysteines 603 and 688 (449 and 534 respectively in this structure).

Details

Redox score ?
81
PDB code
7stz
Structure name
crystal structure of human e-cadherin ec1-5 bound by mouse monoclonal antibody fab mab-1_19a11
Structure deposition date
2021-11-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
P12830
Residue number A
603
Residue number B
688
Peptide name
Cadherin-1

Ligandability

Cysteine 603 of Cadherin-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 688 of Cadherin-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 Cadherin-1 between cysteines 686 and 688 (532 and 534 respectively in this structure).

Details

Redox score ?
65
PDB code
7stz
Structure name
crystal structure of human e-cadherin ec1-5 bound by mouse monoclonal antibody fab mab-1_19a11
Structure deposition date
2021-11-15
Thiol separation (Å)
5
Half-sphere exposure sum ?
46
Minimum pKa ?
10
% buried
nan
Peptide accession
P12830
Residue number A
686
Residue number B
688
Peptide name
Cadherin-1

Ligandability

Cysteine 686 of Cadherin-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 688 of Cadherin-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 Cadherin-1 between cysteines 603 and 686 (449 and 532 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
7stz
Structure name
crystal structure of human e-cadherin ec1-5 bound by mouse monoclonal antibody fab mab-1_19a11
Structure deposition date
2021-11-15
Thiol separation (Å)
6
Half-sphere exposure sum ?
56
Minimum pKa ?
10
% buried
nan
Peptide accession
P12830
Residue number A
603
Residue number B
686
Peptide name
Cadherin-1

Ligandability

Cysteine 603 of Cadherin-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 686 of Cadherin-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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