ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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B protein

Intramolecular
Cysteine 125 and cysteine 188
Cysteine 227 and cysteine 283
A redox-regulated disulphide may form within B protein between cysteines 125 and 188 (101 and 164 respectively in this structure).

Details

Redox score ?
83
PDB code
6lb2
Structure name
crystal structure of rhesus macaque mhc class i molecule mamu-b*098 complexed with mono-acyl glycerol
Structure deposition date
2019-11-13
Thiol separation (Å)
2
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A1E1GJG5
Residue number A
125
Residue number B
188
Peptide name
B protein

Ligandability

Cysteine 125 of B protein

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 188 of B protein

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 B protein between cysteines 227 and 283 (203 and 259 respectively in this structure).

Details

Redox score ?
80
PDB code
6lah
Structure name
crystal structure of rhesus macaque mhc class i molecule mamu-b*098 complexed with lysophosphatidylcholine
Structure deposition date
2019-11-12
Thiol separation (Å)
2
Half-sphere exposure sum ?
84
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A1E1GJG5
Residue number A
227
Residue number B
283
Peptide name
B protein

Ligandability

Cysteine 227 of B protein

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 283 of B protein

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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