ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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MHC class 1

Intramolecular
Cysteine 122 and cysteine 185
Cysteine 224 and cysteine 280
A redox-regulated disulphide may form within MHC class 1 between cysteines 122 and 185 (101 and 164 respectively in this structure).

Details

Redox score ?
82
PDB code
2xfx
Structure name
cattle mhc class i n01301 presenting an 11mer from theileria parva
Structure deposition date
2010-05-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q30291
Residue number A
122
Residue number B
185
Peptide name
MHC class 1

Ligandability

Cysteine 122 of MHC class 1

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 185 of MHC class 1

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 1 between cysteines 224 and 280 (203 and 259 respectively in this structure).

Details

Redox score ?
81
PDB code
2xfx
Structure name
cattle mhc class i n01301 presenting an 11mer from theileria parva
Structure deposition date
2010-05-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q30291
Residue number A
224
Residue number B
280
Peptide name
MHC class 1

Ligandability

Cysteine 224 of MHC class 1

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 280 of MHC class 1

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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