ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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B protein

Intramolecular
Cysteine 122 and cysteine 185
Cysteine 224 and cysteine 280
A redox-regulated disulphide may form within B protein between cysteines 122 and 185 (101 and 164 respectively in this structure).

Details

Redox score ?
83
PDB code
6lt6
Structure name
crystal structure of rhesus macaque mhc class i molecule mamu-b*05104 complexed with lysophosphatidylcholine
Structure deposition date
2020-01-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
B2ZHY7
Residue number A
122
Residue number B
185
Peptide name
B protein

Ligandability

Cysteine 122 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 185 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 224 and 280 (203 and 259 respectively in this structure).

Details

Redox score ?
80
PDB code
6lt6
Structure name
crystal structure of rhesus macaque mhc class i molecule mamu-b*05104 complexed with lysophosphatidylcholine
Structure deposition date
2020-01-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
B2ZHY7
Residue number A
224
Residue number B
280
Peptide name
B protein

Ligandability

Cysteine 224 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 280 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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