ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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MHC class II antigen

Intermolecular
Cysteine 11 of MHC class II HLA-DQ-alpha chain and cysteine 47
Cysteine 11 of MHC class II HLA-DQ-alpha chain and cysteine 111
Intramolecular
Cysteine 149 and cysteine 205
Cysteine 47 and cysteine 111
A redox-regulated disulphide may form between cysteine 11 of MHC class II HLA-DQ-alpha chain and cysteine 47 of MHC class II antigen (11 and 15 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
6dig
Structure name
crystal structure of dqa1*01:02/dqb1*06:02 in complex with a hypocretin peptide
Structure deposition date
2018-05-23
Thiol separation (Å)
4
Half-sphere exposure sum ?
96
Minimum pKa ?
12
% buried
nan
Peptide A name
MHC class II HLA-DQ-alpha chain
Peptide B name
MHC class II antigen
Peptide A accession
Q30066
Peptide B accession
Q5SU54
Peptide A residue number
11
Peptide B residue number
47

Ligandability

Cysteine 11 of MHC class II HLA-DQ-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 47 of MHC class II 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 between cysteine 11 of MHC class II HLA-DQ-alpha chain and cysteine 111 of MHC class II antigen (11 and 79 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
6dig
Structure name
crystal structure of dqa1*01:02/dqb1*06:02 in complex with a hypocretin peptide
Structure deposition date
2018-05-23
Thiol separation (Å)
6
Half-sphere exposure sum ?
91
Minimum pKa ?
12
% buried
nan
Peptide A name
MHC class II HLA-DQ-alpha chain
Peptide B name
MHC class II antigen
Peptide A accession
Q30066
Peptide B accession
Q5SU54
Peptide A residue number
11
Peptide B residue number
111

Ligandability

Cysteine 11 of MHC class II HLA-DQ-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 111 of MHC class II 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 II antigen between cysteines 149 and 205 (117 and 173 respectively in this structure).

Details

Redox score ?
80
PDB code
6dig
Structure name
crystal structure of dqa1*01:02/dqb1*06:02 in complex with a hypocretin peptide
Structure deposition date
2018-05-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5SU54
Residue number A
149
Residue number B
205
Peptide name
MHC class II antigen

Ligandability

Cysteine 149 of MHC class II 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 205 of MHC class II 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 II antigen between cysteines 47 and 111 (15 and 79 respectively in this structure).

Details

Redox score ?
78
PDB code
7kei
Structure name
dqa1*01:02/dqb1*06:02 in complex with a hemagglutinin peptide from the h1n1 pandemic flu virus
Structure deposition date
2020-10-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
89
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5SU54
Residue number A
47
Residue number B
111
Peptide name
MHC class II antigen

Ligandability

Cysteine 47 of MHC class II 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 111 of MHC class II 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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