ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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HLA class I histocompatibility antigen B alpha chain

Intramolecular
Cysteine 227 and cysteine 283
Cysteine 125 and cysteine 188
A redox-regulated disulphide may form within HLA class I histocompatibility antigen B alpha chain between cysteines 227 and 283 (203 and 259 respectively in this structure).

Details

Redox score ?
80
PDB code
7m8u
Structure name
crystal structure of hla-b*35:01 in complex with ipfamqmay, an 9-mer epitope from sars-cov-2 spike (s896-904)
Structure deposition date
2021-03-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q546I9
Residue number A
227
Residue number B
283
Peptide name
HLA class I histocompatibility antigen B alpha chain

Ligandability

Cysteine 227 of HLA class I histocompatibility antigen B alpha chain

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 histocompatibility antigen B alpha chain

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 histocompatibility antigen B alpha chain between cysteines 125 and 188 (101 and 164 respectively in this structure).

Details

Redox score ?
79
PDB code
7m8u
Structure name
crystal structure of hla-b*35:01 in complex with ipfamqmay, an 9-mer epitope from sars-cov-2 spike (s896-904)
Structure deposition date
2021-03-30
Thiol separation (Å)
3
Half-sphere exposure sum ?
78
Minimum pKa ?
8
% buried
92
Peptide accession
Q546I9
Residue number A
125
Residue number B
188
Peptide name
HLA class I histocompatibility antigen B alpha chain

Ligandability

Cysteine 125 of HLA class I histocompatibility antigen B alpha chain

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 histocompatibility antigen B alpha chain

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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