ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Claudin-3

Intermolecular
Cysteine 19 and cysteine 19
Intramolecular
Cysteine 53 and cysteine 63
Cysteine 23 and cysteine 24
Cysteine 19 and cysteine 23
A redox-regulated disulphide may form between two units of Claudin-3 at cysteines 19 and 19. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
6akf
Structure name
crystal structure of mouse claudin-3 p134a mutant in complex with c- terminal fragment of clostridium perfringens enterotoxin
Structure deposition date
2018-08-31
Thiol separation (Å)
10
Half-sphere exposure sum ?
81
Minimum pKa ?
11
% buried
83
Peptide A name
Claudin-3
Peptide B name
Claudin-3
Peptide A accession
Q9Z0G9
Peptide B accession
Q9Z0G9
Peptide A residue number
19
Peptide B residue number
19

Ligandability

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 Claudin-3 between cysteines 53 and 63.

Details

Redox score ?
84
PDB code
6akf
Structure name
crystal structure of mouse claudin-3 p134a mutant in complex with c- terminal fragment of clostridium perfringens enterotoxin
Structure deposition date
2018-08-31
Thiol separation (Å)
2
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Z0G9
Residue number A
53
Residue number B
63
Peptide name
Claudin-3

Ligandability

Cysteine 53 of Claudin-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 63 of Claudin-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 Claudin-3 between cysteines 23 and 24.

Details

Redox score ?
69
PDB code
6akf
Structure name
crystal structure of mouse claudin-3 p134a mutant in complex with c- terminal fragment of clostridium perfringens enterotoxin
Structure deposition date
2018-08-31
Thiol separation (Å)
4
Half-sphere exposure sum ?
74
Minimum pKa ?
7
% buried
78
Peptide accession
Q9Z0G9
Residue number A
23
Residue number B
24
Peptide name
Claudin-3

Ligandability

Cysteine 23 of Claudin-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 24 of Claudin-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 Claudin-3 between cysteines 19 and 23. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
6akf
Structure name
crystal structure of mouse claudin-3 p134a mutant in complex with c- terminal fragment of clostridium perfringens enterotoxin
Structure deposition date
2018-08-31
Thiol separation (Å)
10
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
81
Peptide accession
Q9Z0G9
Residue number A
19
Residue number B
23
Peptide name
Claudin-3

Ligandability

Cysteine 19 of Claudin-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 23 of Claudin-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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