ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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HLA class I histocompatibility antigen, B alpha chain

Intermolecular
Cysteine 188 and cysteine 171 of Lytic switch protein BZLF1
Intramolecular
Cysteine 125 and cysteine 188
Cysteine 227 and cysteine 283
A redox-regulated disulphide may form between cysteine 188 of HLA class I histocompatibility antigen, B alpha chain and cysteine 171 of Lytic switch protein BZLF1 (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 ?
38
PDB code
4jqx
Structure name
hla-b*44:03 in complex with epstein-barr virus bzlf1-derived peptide (residues 169-180)
Structure deposition date
2013-03-20
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
11
% buried
nan
Peptide A name
HLA class I histocompatibility antigen, B alpha chain
Peptide B name
Lytic switch protein BZLF1
Peptide A accession
P30481
Peptide B accession
Q3KSS8
Peptide A residue number
188
Peptide B residue number
171

Ligandability

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.

Cysteine 171 of Lytic switch protein BZLF1

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 ?
83
PDB code
4u1i
Structure name
hla class i micropolymorphisms determine peptide-hla landscape and dictate differential hiv-1 escape through identical epitopes
Structure deposition date
2014-07-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q31610
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.

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
4lcy
Structure name
crystal structure of hla-b46 at 1
Structure deposition date
2013-06-24
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
P30484
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.

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