ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

HLA class I histocompatibility antigen, A alpha chain

Intermolecular
Cysteine 188 and cysteine 426 of Latent membrane protein 2 L
Cysteine 188 and cysteine 92 of Pre-glycoprotein polyprotein GP complex L
Cysteine 125 and cysteine 426 of Latent membrane protein 2
Cysteine 188 and cysteine 1073 of Genome polyprotein L
Cysteine 188 and cysteine 302 of mRNA export factor ICP27 homolog L
Cysteine 125 and cysteine 92 of Pre-glycoprotein polyprotein GP complex
Cysteine 125 and cysteine 1073 of Genome polyprotein
Intramolecular
Cysteine 125 and cysteine 188 L
Cysteine 227 and cysteine 283
Cysteine 125 and cysteine 139
A redox-regulated disulphide may form between cysteine 188 of HLA class I histocompatibility antigen, A alpha chain and cysteine 426 of Latent membrane protein 2 (164 and 1 respectively in this structure).

Details

Redox score ?
62
PDB code
3rew
Structure name
crystal structure of an lmp2a-derived peptide bound to human class i mhc hla-a2
Structure deposition date
2011-04-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
HLA class I histocompatibility antigen, A alpha chain
Peptide B name
Latent membrane protein 2
Peptide A accession
P01892
Peptide B accession
P13285
Peptide A residue number
188
Peptide B residue number
426

Ligandability

Cysteine 188 of HLA class I histocompatibility antigen, A alpha chain

Cysteine 426 of Latent membrane protein 2

A redox-regulated disulphide may form between cysteine 188 of H-2 class I histocompatibility antigen, D-B alpha chain and cysteine 92 of Pre-glycoprotein polyprotein GP complex (164 and 1 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
5jwe
Structure name
crystal structure of h-2db in complex with the lcmv-derived gp92-101 peptide
Structure deposition date
2016-05-12
Thiol separation (Å)
8
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
H-2 class I histocompatibility antigen, D-B alpha chain
Peptide B name
Pre-glycoprotein polyprotein GP complex
Peptide A accession
P01899
Peptide B accession
P09991
Peptide A residue number
188
Peptide B residue number
92

Ligandability

Cysteine 188 of H-2 class I histocompatibility antigen, D-B alpha chain

Cysteine 92 of Pre-glycoprotein polyprotein GP complex

A redox-regulated disulphide may form between cysteine 125 of HLA class I histocompatibility antigen, A alpha chain and cysteine 426 of Latent membrane protein 2 (101 and 1 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
3rew
Structure name
crystal structure of an lmp2a-derived peptide bound to human class i mhc hla-a2
Structure deposition date
2011-04-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
HLA class I histocompatibility antigen, A alpha chain
Peptide B name
Latent membrane protein 2
Peptide A accession
P01892
Peptide B accession
P13285
Peptide A residue number
125
Peptide B residue number
426

Ligandability

Cysteine 125 of HLA class I histocompatibility antigen, A alpha chain

Cysteine 426 of Latent membrane protein 2

A redox-regulated disulphide may form between cysteine 188 of HLA class I histocompatibility antigen, A alpha chain and cysteine 1073 of Genome polyprotein (164 and 1 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
3mrh
Structure name
crystal structure of mhc class i hla-a2 molecule complexed with hcv ns3-1073-1081 nonapeptide n3s variant
Structure deposition date
2010-04-29
Thiol separation (Å)
8
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
HLA class I histocompatibility antigen, A alpha chain
Peptide B name
Genome polyprotein
Peptide A accession
P01892
Peptide B accession
Q03463
Peptide A residue number
188
Peptide B residue number
1073

Ligandability

Cysteine 188 of HLA class I histocompatibility antigen, A alpha chain

Cysteine 1073 of Genome polyprotein

A redox-regulated disulphide may form between cysteine 188 of HLA class I histocompatibility antigen, A alpha chain and cysteine 302 of mRNA export factor ICP27 homolog (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 ?
45
PDB code
3mrf
Structure name
crystal structure of mhc class i hla-a2 molecule complexed with ebv bmlf1-280-288 nonapeptide t4p variant
Structure deposition date
2010-04-29
Thiol separation (Å)
8
Half-sphere exposure sum ?
73
Minimum pKa ?
11
% buried
nan
Peptide A name
HLA class I histocompatibility antigen, A alpha chain
Peptide B name
mRNA export factor ICP27 homolog
Peptide A accession
P01892
Peptide B accession
Q3KSU1
Peptide A residue number
188
Peptide B residue number
302

Ligandability

Cysteine 188 of HLA class I histocompatibility antigen, A alpha chain

Cysteine 302 of mRNA export factor ICP27 homolog

A redox-regulated disulphide may form between cysteine 125 of H-2 class I histocompatibility antigen, D-B alpha chain and cysteine 92 of Pre-glycoprotein polyprotein GP complex (101 and 1 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
5jwe
Structure name
crystal structure of h-2db in complex with the lcmv-derived gp92-101 peptide
Structure deposition date
2016-05-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
H-2 class I histocompatibility antigen, D-B alpha chain
Peptide B name
Pre-glycoprotein polyprotein GP complex
Peptide A accession
P01899
Peptide B accession
P09991
Peptide A residue number
125
Peptide B residue number
92

Ligandability

Cysteine 125 of H-2 class I histocompatibility antigen, D-B alpha chain

Cysteine 92 of Pre-glycoprotein polyprotein GP complex

A redox-regulated disulphide may form between cysteine 125 of HLA class I histocompatibility antigen, A alpha chain and cysteine 1073 of Genome polyprotein (101 and 1 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
3mrh
Structure name
crystal structure of mhc class i hla-a2 molecule complexed with hcv ns3-1073-1081 nonapeptide n3s variant
Structure deposition date
2010-04-29
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
HLA class I histocompatibility antigen, A alpha chain
Peptide B name
Genome polyprotein
Peptide A accession
P01892
Peptide B accession
Q03463
Peptide A residue number
125
Peptide B residue number
1073

Ligandability

Cysteine 125 of HLA class I histocompatibility antigen, A alpha chain

Cysteine 1073 of Genome polyprotein

A redox-regulated disulphide may form within HLA class I histocompatibility antigen, A alpha chain between cysteines 125 and 188 (101 and 164 respectively in this structure).

Details

Redox score ?
82
PDB code
7l1d
Structure name
crystal structure of human 21lt2-2 tcr bound to hla-a*03:01 in complex with a mutant pik3ca peptide
Structure deposition date
2020-12-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
P04439
Residue number A
125
Residue number B
188
Peptide name
HLA class I histocompatibility antigen, A alpha chain

Ligandability

Cysteine 125 of HLA class I histocompatibility antigen, A alpha chain

Cysteine 188 of HLA class I histocompatibility antigen, A alpha chain

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

Details

Redox score ?
79
PDB code
4wu5
Structure name
hla-a24 in complex with hiv-1 nef134-8(wt)
Structure deposition date
2014-10-31
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05534
Residue number A
227
Residue number B
283
Peptide name
HLA class I histocompatibility antigen, A alpha chain

Ligandability

Cysteine 227 of HLA class I histocompatibility antigen, A alpha chain

Cysteine 283 of HLA class I histocompatibility antigen, A alpha chain

A redox-regulated disulphide may form within HLA class I histocompatibility antigen, A alpha chain between cysteines 125 and 139 (84 and 139 respectively in this structure).

Details

Redox score ?
nan
PDB code
6q3k
Structure name
engineered human hla_a2 mhc class i molecule in complex with nv9 peptide
Structure deposition date
2018-12-04
Thiol separation (Å)
2
Half-sphere exposure sum ?
45
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01892
Residue number A
125
Residue number B
139
Peptide name
HLA class I histocompatibility antigen, A alpha chain

Ligandability

Cysteine 125 of HLA class I histocompatibility antigen, A alpha chain

Cysteine 139 of HLA class I histocompatibility antigen, A alpha chain

Uncertain whether structure cysteine 84 has been assigned to correct residue.
Cysteine 139 in protein B could not be asigned to a Uniprot residue.
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