a tool for identifying drug-targetable redox-active disulphides

MHC class I antigen

Intramolecular

Cysteine 101 and cysteine 164

Cysteine 203 and cysteine 259

Cysteine 99 and cysteine 164

Cysteine 99 and cysteine 101

A redox-regulated disulphide may form within MHC class I antigen between cysteines 101 and 164.

Details

Redox score ?

83

PDB code

Structure name

crystal structure of hla a*02:07 bound to hbv core 18-27

Structure deposition date

2010-09-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

81

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

101

Residue number B

164

Peptide name

MHC class I antigen

Ligandability

Cysteine 101 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 164 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 203 and 259.

Details

Redox score ?

79

PDB code

Structure name

crystal structure of hla a*02:07 bound to hbv core 18-27

Structure deposition date

2010-09-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

83

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

203

Residue number B

259

Peptide name

MHC class I antigen

Ligandability

Cysteine 203 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 259 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 99 and 164. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

49

PDB code

Structure name

crystal structure of hla a*02:07 bound to hbv core 18-27

Structure deposition date

2010-09-22

Thiol separation (Å)

7

Half-sphere exposure sum ?

74

Minimum pK_a ?

12

% buried

nan

Peptide accession

Residue number A

99

Residue number B

164

Peptide name

MHC class I antigen

Ligandability

Cysteine 99 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 164 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 99 and 101. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

40

PDB code

Structure name

crystal structure of hla a*02:07 bound to hbv core 18-27

Structure deposition date

2010-09-22

Thiol separation (Å)

8

Half-sphere exposure sum ?

78

Minimum pK_a ?

12

% buried

nan

Peptide accession

Residue number A

99

Residue number B

101

Peptide name

MHC class I antigen

Ligandability

Cysteine 99 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 101 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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