ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

Major allergen beta-lactoglobulin

Intramolecular
Cysteine 82 and cysteine 176
Cysteine 122 and cysteine 135
A redox-regulated disulphide may form within Major allergen beta-lactoglobulin between cysteines 82 and 176 (66 and 160 respectively in this structure).

Details

Redox score ?
87
PDB code
5io6
Structure name
bovine beta-lactoglobulin complex with dodecane, ambient pressure
Structure deposition date
2016-03-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
B5B0D4
Residue number A
82
Residue number B
176
Peptide name
Major allergen beta-lactoglobulin

Ligandability

Cysteine 82 of Major allergen beta-lactoglobulin

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 176 of Major allergen beta-lactoglobulin

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 Major allergen beta-lactoglobulin between cysteines 122 and 135 (106 and 119 respectively in this structure).

Details

Redox score ?
79
PDB code
6fxb
Structure name
bovine beta-lactoglobulin variant a at ph 4
Structure deposition date
2018-03-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
89
Minimum pKa ?
nan
% buried
nan
Peptide accession
B5B0D4
Residue number A
122
Residue number B
135
Peptide name
Major allergen beta-lactoglobulin

Ligandability

Cysteine 122 of Major allergen beta-lactoglobulin

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 135 of Major allergen beta-lactoglobulin

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.

If this tool was useful for finding a disulphide, please cite: