ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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MHC class I antigen

Intramolecular
Cysteine 100 and cysteine 163
Cysteine 202 and cysteine 258
A redox-regulated disulphide may form within MHC class I antigen between cysteines 100 and 163 (101 and 164 respectively in this structure).

Details

Redox score ?
82
PDB code
8esh
Structure name
structure of chimeric hla-a*02:01 bound to cmv peptide
Structure deposition date
2022-10-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
84
Minimum pKa ?
nan
% buried
nan
Peptide accession
D2KZ37
Residue number A
100
Residue number B
163
Peptide name
MHC class I antigen

Ligandability

Cysteine 100 of MHC class I antigen

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 163 of MHC class I antigen

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 MHC class I antigen between cysteines 202 and 258 (203 and 259 respectively in this structure).

Details

Redox score ?
80
PDB code
8esh
Structure name
structure of chimeric hla-a*02:01 bound to cmv peptide
Structure deposition date
2022-10-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
D2KZ37
Residue number A
202
Residue number B
258
Peptide name
MHC class I antigen

Ligandability

Cysteine 202 of MHC class I antigen

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 258 of MHC class I antigen

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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