ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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HLA class II histocompatibility antigen, DM beta chain

Intramolecular
Cysteine 135 and cysteine 192
Cysteine 29 and cysteine 97
Cysteine 43 and cysteine 53
Cysteine 53 and cysteine 64
Cysteine 43 and cysteine 64
A redox-regulated disulphide may form within HLA class II histocompatibility antigen, DM beta chain between cysteines 135 and 192 (117 and 174 respectively in this structure).

Details

Redox score ?
81
PDB code
4i0p
Structure name
hla-do in complex with hla-dm
Structure deposition date
2012-11-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
P28068
Residue number A
135
Residue number B
192
Peptide name
HLA class II histocompatibility antigen, DM beta chain

Ligandability

Cysteine 135 of HLA class II histocompatibility antigen, DM beta 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 192 of HLA class II histocompatibility antigen, DM beta 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 II histocompatibility antigen, DM beta chain between cysteines 29 and 97 (11 and 79 respectively in this structure).

Details

Redox score ?
81
PDB code
4i0p
Structure name
hla-do in complex with hla-dm
Structure deposition date
2012-11-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
P28068
Residue number A
29
Residue number B
97
Peptide name
HLA class II histocompatibility antigen, DM beta chain

Ligandability

Cysteine 29 of HLA class II histocompatibility antigen, DM beta 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 97 of HLA class II histocompatibility antigen, DM beta 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 II histocompatibility antigen, DM beta chain between cysteines 43 and 53 (25 and 35 respectively in this structure).

Details

Redox score ?
80
PDB code
4i0p
Structure name
hla-do in complex with hla-dm
Structure deposition date
2012-11-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P28068
Residue number A
43
Residue number B
53
Peptide name
HLA class II histocompatibility antigen, DM beta chain

Ligandability

Cysteine 43 of HLA class II histocompatibility antigen, DM beta 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 53 of HLA class II histocompatibility antigen, DM beta 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 II histocompatibility antigen, DM beta chain between cysteines 53 and 64 (35 and 46 respectively in this structure).

Details

Redox score ?
68
PDB code
4i0p
Structure name
hla-do in complex with hla-dm
Structure deposition date
2012-11-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
nan
Peptide accession
P28068
Residue number A
53
Residue number B
64
Peptide name
HLA class II histocompatibility antigen, DM beta chain

Ligandability

Cysteine 53 of HLA class II histocompatibility antigen, DM beta 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 64 of HLA class II histocompatibility antigen, DM beta 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 II histocompatibility antigen, DM beta chain between cysteines 43 and 64 (25 and 46 respectively in this structure).

Details

Redox score ?
66
PDB code
1hdm
Structure name
histocompatibility antigen hla-dm
Structure deposition date
1998-09-09
Thiol separation (Å)
6
Half-sphere exposure sum ?
nan
Minimum pKa ?
10
% buried
nan
Peptide accession
P28068
Residue number A
43
Residue number B
64
Peptide name
HLA class II histocompatibility antigen, DM beta chain

Ligandability

Cysteine 43 of HLA class II histocompatibility antigen, DM beta 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 64 of HLA class II histocompatibility antigen, DM beta 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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