ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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HLA class I antigen

Intermolecular
Cysteine 188 and cysteine 63 of Membrane protein
Intramolecular
Cysteine 125 and cysteine 188
Cysteine 227 and cysteine 283
A redox-regulated disulphide may form between cysteine 188 of HLA class I antigen and cysteine 63 of Membrane protein (164 and 3 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
3to2
Structure name
structure of hla-a*0201 complexed with peptide md3-c9 derived from a clustering region of restricted cytotoxic t lymphocyte epitope from sars-cov m protein
Structure deposition date
2011-09-03
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
11
% buried
nan
Peptide A name
HLA class I antigen
Peptide B name
Membrane protein
Peptide A accession
Q53Z42
Peptide B accession
Q692E0
Peptide A residue number
188
Peptide B residue number
63

Ligandability

Cysteine 188 of HLA 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 63 of Membrane 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 HLA class I antigen between cysteines 125 and 188 (101 and 164 respectively in this structure).

Details

Redox score ?
82
PDB code
7rtr
Structure name
ylq-sg3 tcr in complex with sars-cov-2 spike-derived peptide s269-277 (ylqprtfll) presented by hla-a*02:01
Structure deposition date
2021-08-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q53Z42
Residue number A
125
Residue number B
188
Peptide name
HLA class I antigen

Ligandability

Cysteine 125 of HLA 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 188 of HLA 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 HLA class I antigen between cysteines 227 and 283 (203 and 259 respectively in this structure).

Details

Redox score ?
81
PDB code
7rtr
Structure name
ylq-sg3 tcr in complex with sars-cov-2 spike-derived peptide s269-277 (ylqprtfll) presented by hla-a*02:01
Structure deposition date
2021-08-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q53Z42
Residue number A
227
Residue number B
283
Peptide name
HLA class I antigen

Ligandability

Cysteine 227 of HLA 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 283 of HLA 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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