ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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CD1b molecule

Intramolecular
Cysteine 120 and cysteine 184
Cysteine 149 and cysteine 163
Cysteine 224 and cysteine 279
A redox-regulated disulphide may form within CD1b molecule between cysteines 120 and 184 (102 and 166 respectively in this structure).

Details

Redox score ?
82
PDB code
3l9r
Structure name
crystal structure of bovine cd1b3 with endogenously bound ligands
Structure deposition date
2010-01-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q1L1H6
Residue number A
120
Residue number B
184
Peptide name
CD1b molecule

Ligandability

Cysteine 120 of CD1b molecule

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 184 of CD1b molecule

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 CD1b molecule between cysteines 149 and 163 (131 and 145 respectively in this structure).

Details

Redox score ?
81
PDB code
3l9r
Structure name
crystal structure of bovine cd1b3 with endogenously bound ligands
Structure deposition date
2010-01-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q1L1H6
Residue number A
149
Residue number B
163
Peptide name
CD1b molecule

Ligandability

Cysteine 149 of CD1b molecule

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 163 of CD1b molecule

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 CD1b molecule between cysteines 224 and 279 (206 and 261 respectively in this structure).

Details

Redox score ?
79
PDB code
3l9r
Structure name
crystal structure of bovine cd1b3 with endogenously bound ligands
Structure deposition date
2010-01-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q1L1H6
Residue number A
224
Residue number B
279
Peptide name
CD1b molecule

Ligandability

Cysteine 224 of CD1b molecule

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 279 of CD1b molecule

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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