ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Contactin-3

Intramolecular
Cysteine 431 and cysteine 479
Cysteine 144 and cysteine 196
Cysteine 249 and cysteine 297
Cysteine 521 and cysteine 577
A redox-regulated disulphide may form within Contactin-3 between cysteines 431 and 479.

Details

Redox score ?
82
PDB code
5i99
Structure name
crystal structure of mouse cntn3 ig5-fn2 domains
Structure deposition date
2016-02-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q07409
Residue number A
431
Residue number B
479
Peptide name
Contactin-3

Ligandability

Cysteine 431 of Contactin-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 479 of Contactin-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 Contactin-3 between cysteines 144 and 196.

Details

Redox score ?
82
PDB code
5e5r
Structure name
crystal structure of the complex between carbonic anhydrase-like domain of ptprg and immunoglobulin domains 2-3 of cntn3
Structure deposition date
2015-10-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q07409
Residue number A
144
Residue number B
196
Peptide name
Contactin-3

Ligandability

Cysteine 144 of Contactin-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 196 of Contactin-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 Contactin-3 between cysteines 249 and 297.

Details

Redox score ?
80
PDB code
5e5r
Structure name
crystal structure of the complex between carbonic anhydrase-like domain of ptprg and immunoglobulin domains 2-3 of cntn3
Structure deposition date
2015-10-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
84
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q07409
Residue number A
249
Residue number B
297
Peptide name
Contactin-3

Ligandability

Cysteine 249 of Contactin-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 297 of Contactin-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 Contactin-3 between cysteines 521 and 577.

Details

Redox score ?
80
PDB code
5i99
Structure name
crystal structure of mouse cntn3 ig5-fn2 domains
Structure deposition date
2016-02-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q07409
Residue number A
521
Residue number B
577
Peptide name
Contactin-3

Ligandability

Cysteine 521 of Contactin-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 577 of Contactin-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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