ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Junctional adhesion molecule A

Intramolecular
Cysteine 50 and cysteine 109
Cysteine 153 and cysteine 212
Cysteine 74 and cysteine 109
Cysteine 50 and cysteine 74
A redox-regulated disulphide may form within Junctional adhesion molecule A between cysteines 50 and 109.

Details

Redox score ?
83
PDB code
3eoy
Structure name
structure of reovirus sigma1 in complex with its receptor junctional adhesion molecule-a
Structure deposition date
2008-09-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y624
Residue number A
50
Residue number B
109
Peptide name
Junctional adhesion molecule A

Ligandability

Cysteine 50 of Junctional adhesion molecule A

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 109 of Junctional adhesion molecule A

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 Junctional adhesion molecule A between cysteines 153 and 212.

Details

Redox score ?
82
PDB code
1nbq
Structure name
crystal structure of human junctional adhesion molecule type 1
Structure deposition date
2002-12-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
86
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y624
Residue number A
153
Residue number B
212
Peptide name
Junctional adhesion molecule A

Ligandability

Cysteine 153 of Junctional adhesion molecule A

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 212 of Junctional adhesion molecule A

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 Junctional adhesion molecule A between cysteines 74 and 109. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
3eoy
Structure name
structure of reovirus sigma1 in complex with its receptor junctional adhesion molecule-a
Structure deposition date
2008-09-29
Thiol separation (Å)
8
Half-sphere exposure sum ?
80
Minimum pKa ?
12
% buried
nan
Peptide accession
Q9Y624
Residue number A
74
Residue number B
109
Peptide name
Junctional adhesion molecule A

Ligandability

Cysteine 74 of Junctional adhesion molecule A

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 109 of Junctional adhesion molecule A

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 Junctional adhesion molecule A between cysteines 50 and 74. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
3eoy
Structure name
structure of reovirus sigma1 in complex with its receptor junctional adhesion molecule-a
Structure deposition date
2008-09-29
Thiol separation (Å)
10
Half-sphere exposure sum ?
71
Minimum pKa ?
12
% buried
nan
Peptide accession
Q9Y624
Residue number A
50
Residue number B
74
Peptide name
Junctional adhesion molecule A

Ligandability

Cysteine 50 of Junctional adhesion molecule A

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 74 of Junctional adhesion molecule A

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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