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 123 and cysteine 188
Cysteine 123 and cysteine 125
A redox-regulated disulphide may form within MHC class I antigen between cysteines 125 and 188 (101 and 164 respectively in this structure).

Details

Redox score ?
81
PDB code
7duu
Structure name
crystal structure of hla molecule with an kir receptor
Structure deposition date
2021-01-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
F6IQA6
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 (203 and 259 respectively in this structure).

Details

Redox score ?
80
PDB code
7duu
Structure name
crystal structure of hla molecule with an kir receptor
Structure deposition date
2021-01-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
F6IQA6
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 123 and 188 (99 and 164 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
7duu
Structure name
crystal structure of hla molecule with an kir receptor
Structure deposition date
2021-01-11
Thiol separation (Å)
6
Half-sphere exposure sum ?
79
Minimum pKa ?
14
% buried
nan
Peptide accession
F6IQA6
Residue number A
123
Residue number B
188
Peptide name
MHC class I antigen

Ligandability

Cysteine 123 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 123 and 125 (99 and 101 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7duu
Structure name
crystal structure of hla molecule with an kir receptor
Structure deposition date
2021-01-11
Thiol separation (Å)
8
Half-sphere exposure sum ?
80
Minimum pKa ?
14
% buried
nan
Peptide accession
F6IQA6
Residue number A
123
Residue number B
125
Peptide name
MHC class I antigen

Ligandability

Cysteine 123 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.

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