ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Sphingosine 1-phosphate receptor 3

Intramolecular
Cysteine 269 and cysteine 274
Cysteine 178 and cysteine 185
Cysteine 127 and cysteine 161
Cysteine 84 and cysteine 161
Cysteine 84 and cysteine 127
A redox-regulated disulphide may form within Sphingosine 1-phosphate receptor 3 between cysteines 269 and 274.

Details

Redox score ?
86
PDB code
7c4s
Structure name
sphingosine-1-phosphate receptor 3 with a natural ligand
Structure deposition date
2020-05-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99500
Residue number A
269
Residue number B
274
Peptide name
Sphingosine 1-phosphate receptor 3

Ligandability

Cysteine 269 of Sphingosine 1-phosphate receptor 3

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 274 of Sphingosine 1-phosphate receptor 3

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 Sphingosine 1-phosphate receptor 3 between cysteines 178 and 185.

Details

Redox score ?
82
PDB code
7c4s
Structure name
sphingosine-1-phosphate receptor 3 with a natural ligand
Structure deposition date
2020-05-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99500
Residue number A
178
Residue number B
185
Peptide name
Sphingosine 1-phosphate receptor 3

Ligandability

Cysteine 178 of Sphingosine 1-phosphate receptor 3

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 185 of Sphingosine 1-phosphate receptor 3

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 Sphingosine 1-phosphate receptor 3 between cysteines 127 and 161. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
60
PDB code
7c4s
Structure name
sphingosine-1-phosphate receptor 3 with a natural ligand
Structure deposition date
2020-05-18
Thiol separation (Å)
5
Half-sphere exposure sum ?
73
Minimum pKa ?
11
% buried
74
Peptide accession
Q99500
Residue number A
127
Residue number B
161
Peptide name
Sphingosine 1-phosphate receptor 3

Ligandability

Cysteine 127 of Sphingosine 1-phosphate receptor 3

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 161 of Sphingosine 1-phosphate receptor 3

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 Sphingosine 1-phosphate receptor 3 between cysteines 84 and 161. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7c4s
Structure name
sphingosine-1-phosphate receptor 3 with a natural ligand
Structure deposition date
2020-05-18
Thiol separation (Å)
7
Half-sphere exposure sum ?
75
Minimum pKa ?
12
% buried
74
Peptide accession
Q99500
Residue number A
84
Residue number B
161
Peptide name
Sphingosine 1-phosphate receptor 3

Ligandability

Cysteine 84 of Sphingosine 1-phosphate receptor 3

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 161 of Sphingosine 1-phosphate receptor 3

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 Sphingosine 1-phosphate receptor 3 between cysteines 84 and 127. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
7c4s
Structure name
sphingosine-1-phosphate receptor 3 with a natural ligand
Structure deposition date
2020-05-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
81
Minimum pKa ?
11
% buried
84
Peptide accession
Q99500
Residue number A
84
Residue number B
127
Peptide name
Sphingosine 1-phosphate receptor 3

Ligandability

Cysteine 84 of Sphingosine 1-phosphate receptor 3

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 127 of Sphingosine 1-phosphate receptor 3

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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