ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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MHC class I antigen

Intramolecular
Cysteine 125 and cysteine 188
Cysteine 227 and cysteine 283
Cysteine 125 and cysteine 282
Cysteine 11 and cysteine 125
A redox-regulated disulphide may form within MHC class I antigen between cysteines 125 and 188 (244 and 307 respectively in this structure).

Details

Redox score ?
82
PDB code
7sr5
Structure name
single chain trimer hla-a*02:01 (y108c, a163c) with wilms tumor protein peptide rmfpnapyl
Structure deposition date
2021-11-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A678ZGP6
Residue number A
125
Residue number B
188
Peptide name
MHC class I antigen

Ligandability

Cysteine 125 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 188 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 227 and 283 (346 and 402 respectively in this structure).

Details

Redox score ?
80
PDB code
7sr5
Structure name
single chain trimer hla-a*02:01 (y108c, a163c) with wilms tumor protein peptide rmfpnapyl
Structure deposition date
2021-11-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A678ZGP6
Residue number A
227
Residue number B
283
Peptide name
MHC class I antigen

Ligandability

Cysteine 227 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 283 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 125 and 282 (227 and 282 respectively in this structure).

Details

Redox score ?
nan
PDB code
7sr5
Structure name
single chain trimer hla-a*02:01 (y108c, a163c) with wilms tumor protein peptide rmfpnapyl
Structure deposition date
2021-11-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A678ZGP6
Residue number A
125
Residue number B
282
Peptide name
MHC class I antigen

Ligandability

Cysteine 125 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 282 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.

Uncertain whether structure cysteine 227 has been assigned to correct residue.
Cysteine 282 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within MHC class I antigen between cysteines 11 and 125 (11 and 227 respectively in this structure).

Details

Redox score ?
nan
PDB code
7sr0
Structure name
single chain trimer hla-a*02:01 (h98l, y108c) with hpv
Structure deposition date
2021-11-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A678ZGP6
Residue number A
11
Residue number B
125
Peptide name
MHC class I antigen

Ligandability

Cysteine 11 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 125 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 11 in protein A could not be asigned to a Uniprot residue.
Uncertain whether structure cysteine 227 has been assigned to correct residue.
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