ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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CD1d1 antigen

Intramolecular
Cysteine 226 and cysteine 281
Cysteine 122 and cysteine 186
Cysteine 30 and cysteine 122
Cysteine 30 and cysteine 186
A redox-regulated disulphide may form within CD1d1 antigen between cysteines 226 and 281 (208 and 263 respectively in this structure).

Details

Redox score ?
81
PDB code
6bnk
Structure name
crystal structure of tcr-mhc-like molecule
Structure deposition date
2017-11-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0R4J090
Residue number A
226
Residue number B
281
Peptide name
CD1d1 antigen

Ligandability

Cysteine 226 of CD1d1 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 281 of CD1d1 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 CD1d1 antigen between cysteines 122 and 186 (104 and 168 respectively in this structure).

Details

Redox score ?
79
PDB code
6c6f
Structure name
structure of glycolipid agsa[26,p5p] in complex with mouse cd1d
Structure deposition date
2018-01-18
Thiol separation (Å)
3
Half-sphere exposure sum ?
66
Minimum pKa ?
8
% buried
85
Peptide accession
A0A0R4J090
Residue number A
122
Residue number B
186
Peptide name
CD1d1 antigen

Ligandability

Cysteine 122 of CD1d1 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 186 of CD1d1 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 CD1d1 antigen between cysteines 30 and 122 (12 and 104 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
6c6a
Structure name
structure of glycolipid agsa[16,6p] in complex with mouse cd1d
Structure deposition date
2018-01-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
73
Minimum pKa ?
8
% buried
84
Peptide accession
A0A0R4J090
Residue number A
30
Residue number B
122
Peptide name
CD1d1 antigen

Ligandability

Cysteine 30 of CD1d1 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 122 of CD1d1 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 CD1d1 antigen between cysteines 30 and 186 (12 and 168 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
6cx9
Structure name
structure of alpha-gsa[16,6p] bound by cd1d and in complex with the va14vb8
Structure deposition date
2018-04-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
12
% buried
100
Peptide accession
A0A0R4J090
Residue number A
30
Residue number B
186
Peptide name
CD1d1 antigen

Ligandability

Cysteine 30 of CD1d1 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 186 of CD1d1 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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