ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Leukotriene B4 receptor 1

Intramolecular
Cysteine 90 and cysteine 168
Cysteine 93 and cysteine 168
Cysteine 93 and cysteine 97
Cysteine 90 and cysteine 93
Cysteine 97 and cysteine 168
Cysteine 90 and cysteine 287
Cysteine 90 and cysteine 97
Cysteine 1093 and cysteine 97
A redox-regulated disulphide may form within Leukotriene B4 receptor 1 between cysteines 90 and 168.

Details

Redox score ?
84
PDB code
7k15
Structure name
crystal structure of the human leukotriene b4 receptor 1 in complex with selective antagonist mk-d-046
Structure deposition date
2020-09-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q15722
Residue number A
90
Residue number B
168
Peptide name
Leukotriene B4 receptor 1

Ligandability

Cysteine 90 of Leukotriene B4 receptor 1

Cysteine 168 of Leukotriene B4 receptor 1

A redox-regulated disulphide may form within Leukotriene B4 receptor 1 between cysteines 93 and 168. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
7k15
Structure name
crystal structure of the human leukotriene b4 receptor 1 in complex with selective antagonist mk-d-046
Structure deposition date
2020-09-07
Thiol separation (Å)
7
Half-sphere exposure sum ?
65
Minimum pKa ?
11
% buried
nan
Peptide accession
Q15722
Residue number A
93
Residue number B
168
Peptide name
Leukotriene B4 receptor 1

Ligandability

Cysteine 93 of Leukotriene B4 receptor 1

Cysteine 168 of Leukotriene B4 receptor 1

A redox-regulated disulphide may form within Leukotriene B4 receptor 1 between cysteines 93 and 97. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7k15
Structure name
crystal structure of the human leukotriene b4 receptor 1 in complex with selective antagonist mk-d-046
Structure deposition date
2020-09-07
Thiol separation (Å)
7
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
75
Peptide accession
Q15722
Residue number A
93
Residue number B
97
Peptide name
Leukotriene B4 receptor 1

Ligandability

Cysteine 93 of Leukotriene B4 receptor 1

Cysteine 97 of Leukotriene B4 receptor 1

A redox-regulated disulphide may form within Leukotriene B4 receptor 1 between cysteines 90 and 93. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7k15
Structure name
crystal structure of the human leukotriene b4 receptor 1 in complex with selective antagonist mk-d-046
Structure deposition date
2020-09-07
Thiol separation (Å)
8
Half-sphere exposure sum ?
64
Minimum pKa ?
11
% buried
nan
Peptide accession
Q15722
Residue number A
90
Residue number B
93
Peptide name
Leukotriene B4 receptor 1

Ligandability

Cysteine 90 of Leukotriene B4 receptor 1

Cysteine 93 of Leukotriene B4 receptor 1

A redox-regulated disulphide may form within Leukotriene B4 receptor 1 between cysteines 97 and 168. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
7k15
Structure name
crystal structure of the human leukotriene b4 receptor 1 in complex with selective antagonist mk-d-046
Structure deposition date
2020-09-07
Thiol separation (Å)
10
Half-sphere exposure sum ?
70
Minimum pKa ?
12
% buried
nan
Peptide accession
Q15722
Residue number A
97
Residue number B
168
Peptide name
Leukotriene B4 receptor 1

Ligandability

Cysteine 97 of Leukotriene B4 receptor 1

Cysteine 168 of Leukotriene B4 receptor 1

A redox-regulated disulphide may form within Leukotriene B4 receptor 1 between cysteines 90 and 287 (1057 and 1090 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
23
PDB code
7k15
Structure name
crystal structure of the human leukotriene b4 receptor 1 in complex with selective antagonist mk-d-046
Structure deposition date
2020-09-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
98
Minimum pKa ?
13
% buried
100
Peptide accession
Q15722
Residue number A
90
Residue number B
287
Peptide name
Leukotriene B4 receptor 1

Ligandability

Cysteine 90 of Leukotriene B4 receptor 1

Cysteine 287 of Leukotriene B4 receptor 1

Uncertain whether structure cysteine 1057 has been assigned to correct residue.
A redox-regulated disulphide may form within Leukotriene B4 receptor 1 between cysteines 90 and 97 (1057 and 1102 respectively in this structure).

Details

Redox score ?
nan
PDB code
7k15
Structure name
crystal structure of the human leukotriene b4 receptor 1 in complex with selective antagonist mk-d-046
Structure deposition date
2020-09-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
88
Minimum pKa ?
12
% buried
87
Peptide accession
Q15722
Residue number A
90
Residue number B
97
Peptide name
Leukotriene B4 receptor 1

Ligandability

Cysteine 90 of Leukotriene B4 receptor 1

Cysteine 97 of Leukotriene B4 receptor 1

Uncertain whether structure cysteine 1057 has been assigned to correct residue.
Uncertain whether structure cysteine 1102 has been assigned to correct residue.
A redox-regulated disulphide may form within Leukotriene B4 receptor 1 between cysteines 1093 and 97 (1093 and 1102 respectively in this structure).

Details

Redox score ?
nan
PDB code
7k15
Structure name
crystal structure of the human leukotriene b4 receptor 1 in complex with selective antagonist mk-d-046
Structure deposition date
2020-09-07
Thiol separation (Å)
7
Half-sphere exposure sum ?
82
Minimum pKa ?
12
% buried
81
Peptide accession
Q15722
Residue number A
1093
Residue number B
97
Peptide name
Leukotriene B4 receptor 1

Ligandability

Cysteine 1093 of Leukotriene B4 receptor 1

Cysteine 97 of Leukotriene B4 receptor 1

Cysteine 1093 in protein A could not be asigned to a Uniprot residue.
Uncertain whether structure cysteine 1102 has been assigned to correct residue.
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