ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Nectin-1

Intramolecular
Cysteine 269 and cysteine 316
Cysteine 51 and cysteine 124
Cysteine 172 and cysteine 226
A redox-regulated disulphide may form within Nectin-1 between cysteines 269 and 316.

Details

Redox score ?
85
PDB code
4fmf
Structure name
crystal structure of human nectin-1 full ectodomain (d1-d3)
Structure deposition date
2012-06-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q15223
Residue number A
269
Residue number B
316
Peptide name
Nectin-1

Ligandability

Cysteine 269 of Nectin-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 316 of Nectin-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 Nectin-1 between cysteines 51 and 124 (15 and 88 respectively in this structure).

Details

Redox score ?
84
PDB code
5x5w
Structure name
crystal structure of pseudorabies virus glycoprotein d
Structure deposition date
2017-02-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9GL76
Residue number A
51
Residue number B
124
Peptide name
Nectin-1

Ligandability

Cysteine 51 of Nectin-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 124 of Nectin-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 Nectin-1 between cysteines 172 and 226.

Details

Redox score ?
82
PDB code
3alp
Structure name
cell adhesion protein
Structure deposition date
2010-08-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q15223
Residue number A
172
Residue number B
226
Peptide name
Nectin-1

Ligandability

Cysteine 172 of Nectin-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 226 of Nectin-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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