ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Nectin-3

Intramolecular
Cysteine 291 and cysteine 338
Cysteine 193 and cysteine 246
Cysteine 78 and cysteine 148
A redox-regulated disulphide may form within Nectin-3 between cysteines 291 and 338.

Details

Redox score ?
83
PDB code
4fom
Structure name
crystal structure of human nectin-3 full ectodomain (d1-d3)
Structure deposition date
2012-06-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NQS3
Residue number A
291
Residue number B
338
Peptide name
Nectin-3

Ligandability

Cysteine 291 of Nectin-3

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 338 of Nectin-3

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 Nectin-3 between cysteines 193 and 246.

Details

Redox score ?
81
PDB code
4fom
Structure name
crystal structure of human nectin-3 full ectodomain (d1-d3)
Structure deposition date
2012-06-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NQS3
Residue number A
193
Residue number B
246
Peptide name
Nectin-3

Ligandability

Cysteine 193 of Nectin-3

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 246 of Nectin-3

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 Nectin-3 between cysteines 78 and 148 (20 and 90 respectively in this structure).

Details

Redox score ?
81
PDB code
5b22
Structure name
dimer structure of murine nectin-3 d1d2
Structure deposition date
2015-12-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9JLB9
Residue number A
78
Residue number B
148
Peptide name
Nectin-3

Ligandability

Cysteine 78 of Nectin-3

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 148 of Nectin-3

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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