ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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LTB4 receptor

Intramolecular
Cysteine 92 and cysteine 170
Cysteine 92 and cysteine 95
Cysteine 95 and cysteine 99
Cysteine 95 and cysteine 170
Cysteine 92 and cysteine 99
A redox-regulated disulphide may form within LTB4 receptor between cysteines 92 and 170.

Details

Redox score ?
85
PDB code
5x33
Structure name
leukotriene b4 receptor blt1 in complex with biil260
Structure deposition date
2017-02-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9WTK1
Residue number A
92
Residue number B
170
Peptide name
LTB4 receptor

Ligandability

Cysteine 92 of LTB4 receptor

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 170 of LTB4 receptor

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 LTB4 receptor between cysteines 92 and 95. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
5x33
Structure name
leukotriene b4 receptor blt1 in complex with biil260
Structure deposition date
2017-02-03
Thiol separation (Å)
7
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
nan
Peptide accession
Q9WTK1
Residue number A
92
Residue number B
95
Peptide name
LTB4 receptor

Ligandability

Cysteine 92 of LTB4 receptor

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 95 of LTB4 receptor

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 LTB4 receptor between cysteines 95 and 99. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
5x33
Structure name
leukotriene b4 receptor blt1 in complex with biil260
Structure deposition date
2017-02-03
Thiol separation (Å)
6
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
80
Peptide accession
Q9WTK1
Residue number A
95
Residue number B
99
Peptide name
LTB4 receptor

Ligandability

Cysteine 95 of LTB4 receptor

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 99 of LTB4 receptor

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 LTB4 receptor between cysteines 95 and 170. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
5x33
Structure name
leukotriene b4 receptor blt1 in complex with biil260
Structure deposition date
2017-02-03
Thiol separation (Å)
9
Half-sphere exposure sum ?
64
Minimum pKa ?
11
% buried
nan
Peptide accession
Q9WTK1
Residue number A
95
Residue number B
170
Peptide name
LTB4 receptor

Ligandability

Cysteine 95 of LTB4 receptor

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 170 of LTB4 receptor

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 LTB4 receptor between cysteines 92 and 99. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
5x33
Structure name
leukotriene b4 receptor blt1 in complex with biil260
Structure deposition date
2017-02-03
Thiol separation (Å)
10
Half-sphere exposure sum ?
70
Minimum pKa ?
13
% buried
nan
Peptide accession
Q9WTK1
Residue number A
92
Residue number B
99
Peptide name
LTB4 receptor

Ligandability

Cysteine 92 of LTB4 receptor

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 99 of LTB4 receptor

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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