ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cysteinyl leukotriene receptor 1

Intramolecular
Cysteine 14 and cysteine 267
Cysteine 96 and cysteine 173
Cysteine 122 and cysteine 208
Cysteine 288 and cysteine 289
Cysteine 72 and cysteine 288
Cysteine 72 and cysteine 74
Cysteine 109 and cysteine 144
A redox-regulated disulphide may form within Cysteinyl leukotriene receptor 1 between cysteines 14 and 267.

Details

Redox score ?
92
PDB code
6rz5
Structure name
xfel crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast
Structure deposition date
2019-06-12
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y271
Residue number A
14
Residue number B
267
Peptide name
Cysteinyl leukotriene receptor 1

Ligandability

Cysteine 14 of Cysteinyl leukotriene receptor 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 267 of Cysteinyl leukotriene receptor 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 Cysteinyl leukotriene receptor 1 between cysteines 96 and 173.

Details

Redox score ?
84
PDB code
6rz5
Structure name
xfel crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast
Structure deposition date
2019-06-12
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y271
Residue number A
96
Residue number B
173
Peptide name
Cysteinyl leukotriene receptor 1

Ligandability

Cysteine 96 of Cysteinyl leukotriene receptor 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 173 of Cysteinyl leukotriene receptor 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 Cysteinyl leukotriene receptor 1 between cysteines 122 and 208.

Details

Redox score ?
75
PDB code
6rz4
Structure name
crystal structure of cysteinyl leukotriene receptor 1 in complex with pranlukast
Structure deposition date
2019-06-12
Thiol separation (Å)
4
Half-sphere exposure sum ?
67
Minimum pKa ?
7
% buried
49
Peptide accession
Q9Y271
Residue number A
122
Residue number B
208
Peptide name
Cysteinyl leukotriene receptor 1

Ligandability

Cysteine 122 of Cysteinyl leukotriene receptor 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 208 of Cysteinyl leukotriene receptor 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 Cysteinyl leukotriene receptor 1 between cysteines 288 and 289.

Details

Redox score ?
65
PDB code
6rz5
Structure name
xfel crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast
Structure deposition date
2019-06-12
Thiol separation (Å)
4
Half-sphere exposure sum ?
89
Minimum pKa ?
8
% buried
90
Peptide accession
Q9Y271
Residue number A
288
Residue number B
289
Peptide name
Cysteinyl leukotriene receptor 1

Ligandability

Cysteine 288 of Cysteinyl leukotriene receptor 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 289 of Cysteinyl leukotriene receptor 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 Cysteinyl leukotriene receptor 1 between cysteines 72 and 288. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
6rz5
Structure name
xfel crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast
Structure deposition date
2019-06-12
Thiol separation (Å)
6
Half-sphere exposure sum ?
89
Minimum pKa ?
12
% buried
100
Peptide accession
Q9Y271
Residue number A
72
Residue number B
288
Peptide name
Cysteinyl leukotriene receptor 1

Ligandability

Cysteine 72 of Cysteinyl leukotriene receptor 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 288 of Cysteinyl leukotriene receptor 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 Cysteinyl leukotriene receptor 1 between cysteines 72 and 74. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
6rz5
Structure name
xfel crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast
Structure deposition date
2019-06-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
10
% buried
66
Peptide accession
Q9Y271
Residue number A
72
Residue number B
74
Peptide name
Cysteinyl leukotriene receptor 1

Ligandability

Cysteine 72 of Cysteinyl leukotriene receptor 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 74 of Cysteinyl leukotriene receptor 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 Cysteinyl leukotriene receptor 1 between cysteines 109 and 144. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
6rz5
Structure name
xfel crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast
Structure deposition date
2019-06-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
77
Minimum pKa ?
13
% buried
86
Peptide accession
Q9Y271
Residue number A
109
Residue number B
144
Peptide name
Cysteinyl leukotriene receptor 1

Ligandability

Cysteine 109 of Cysteinyl leukotriene receptor 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 144 of Cysteinyl leukotriene receptor 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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