ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Thromboxane A2 receptor

Intramolecular
Cysteine 105 and cysteine 35
Cysteine 11 and cysteine 102
Cysteine 2006 and cysteine 35
Cysteine 105 and cysteine 183
Cysteine 11 and cysteine 105
Cysteine 102 and cysteine 105
Cysteine 11 and cysteine 183
Cysteine 102 and cysteine 183
Cysteine 2009 and cysteine 105
Cysteine 2009 and cysteine 35
Cysteine 2006 and cysteine 2009
A redox-regulated disulphide may form within Thromboxane A2 receptor between cysteines 105 and 35 (2039 and 2042 respectively in this structure).

Details

Redox score ?
85
PDB code
6iiv
Structure name
crystal structure of the human thromboxane a2 receptor bound to daltroban
Structure deposition date
2018-10-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
52
Minimum pKa ?
6
% buried
8
Peptide accession
P21731
Residue number A
105
Residue number B
35
Peptide name
Thromboxane A2 receptor

Ligandability

Cysteine 105 of Thromboxane A2 receptor

Cysteine 35 of Thromboxane A2 receptor

A redox-regulated disulphide may form within Thromboxane A2 receptor between cysteines 11 and 102.

Details

Redox score ?
84
PDB code
6iiu
Structure name
crystal structure of the human thromboxane a2 receptor bound to ramatroban
Structure deposition date
2018-10-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
P21731
Residue number A
11
Residue number B
102
Peptide name
Thromboxane A2 receptor

Ligandability

Cysteine 11 of Thromboxane A2 receptor

Cysteine 102 of Thromboxane A2 receptor

A redox-regulated disulphide may form within Thromboxane A2 receptor between cysteines 2006 and 35 (2006 and 2042 respectively in this structure).

Details

Redox score ?
82
PDB code
6iiu
Structure name
crystal structure of the human thromboxane a2 receptor bound to ramatroban
Structure deposition date
2018-10-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
49
Minimum pKa ?
8
% buried
2
Peptide accession
P21731
Residue number A
2006
Residue number B
35
Peptide name
Thromboxane A2 receptor

Ligandability

Cysteine 2006 of Thromboxane A2 receptor

Cysteine 35 of Thromboxane A2 receptor

Cysteine 2006 in protein A could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within Thromboxane A2 receptor between cysteines 105 and 183.

Details

Redox score ?
82
PDB code
6iiu
Structure name
crystal structure of the human thromboxane a2 receptor bound to ramatroban
Structure deposition date
2018-10-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P21731
Residue number A
105
Residue number B
183
Peptide name
Thromboxane A2 receptor

Ligandability

Cysteine 105 of Thromboxane A2 receptor

Cysteine 183 of Thromboxane A2 receptor

A redox-regulated disulphide may form within Thromboxane A2 receptor between cysteines 11 and 105.

Details

Redox score ?
72
PDB code
6iiu
Structure name
crystal structure of the human thromboxane a2 receptor bound to ramatroban
Structure deposition date
2018-10-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P21731
Residue number A
11
Residue number B
105
Peptide name
Thromboxane A2 receptor

Ligandability

Cysteine 11 of Thromboxane A2 receptor

Cysteine 105 of Thromboxane A2 receptor

A redox-regulated disulphide may form within Thromboxane A2 receptor between cysteines 102 and 105.

Details

Redox score ?
62
PDB code
6iiu
Structure name
crystal structure of the human thromboxane a2 receptor bound to ramatroban
Structure deposition date
2018-10-07
Thiol separation (Å)
6
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P21731
Residue number A
102
Residue number B
105
Peptide name
Thromboxane A2 receptor

Ligandability

Cysteine 102 of Thromboxane A2 receptor

Cysteine 105 of Thromboxane A2 receptor

A redox-regulated disulphide may form within Thromboxane A2 receptor between cysteines 11 and 183.

Details

Redox score ?
60
PDB code
6iiv
Structure name
crystal structure of the human thromboxane a2 receptor bound to daltroban
Structure deposition date
2018-10-07
Thiol separation (Å)
6
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
P21731
Residue number A
11
Residue number B
183
Peptide name
Thromboxane A2 receptor

Ligandability

Cysteine 11 of Thromboxane A2 receptor

Cysteine 183 of Thromboxane A2 receptor

A redox-regulated disulphide may form within Thromboxane A2 receptor between cysteines 102 and 183. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
6iiv
Structure name
crystal structure of the human thromboxane a2 receptor bound to daltroban
Structure deposition date
2018-10-07
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P21731
Residue number A
102
Residue number B
183
Peptide name
Thromboxane A2 receptor

Ligandability

Cysteine 102 of Thromboxane A2 receptor

Cysteine 183 of Thromboxane A2 receptor

A redox-regulated disulphide may form within Thromboxane A2 receptor between cysteines 2009 and 105 (2009 and 2039 respectively in this structure).

Details

Redox score ?
nan
PDB code
6iiu
Structure name
crystal structure of the human thromboxane a2 receptor bound to ramatroban
Structure deposition date
2018-10-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
6
% buried
8
Peptide accession
P21731
Residue number A
2009
Residue number B
105
Peptide name
Thromboxane A2 receptor

Ligandability

Cysteine 2009 of Thromboxane A2 receptor

Cysteine 105 of Thromboxane A2 receptor

Cysteine 2009 in protein A could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within Thromboxane A2 receptor between cysteines 2009 and 35 (2009 and 2042 respectively in this structure).

Details

Redox score ?
nan
PDB code
6iiv
Structure name
crystal structure of the human thromboxane a2 receptor bound to daltroban
Structure deposition date
2018-10-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
41
Minimum pKa ?
9
% buried
0
Peptide accession
P21731
Residue number A
2009
Residue number B
35
Peptide name
Thromboxane A2 receptor

Ligandability

Cysteine 2009 of Thromboxane A2 receptor

Cysteine 35 of Thromboxane A2 receptor

Cysteine 2009 in protein A could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within Thromboxane A2 receptor between cysteines 2006 and 2009.

Details

Redox score ?
nan
PDB code
6iiv
Structure name
crystal structure of the human thromboxane a2 receptor bound to daltroban
Structure deposition date
2018-10-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
53
Minimum pKa ?
8
% buried
3
Peptide accession
P21731
Residue number A
2006
Residue number B
2009
Peptide name
Thromboxane A2 receptor

Ligandability

Cysteine 2006 of Thromboxane A2 receptor

Cysteine 2009 of Thromboxane A2 receptor

Cysteine 2006 in protein A could not be asigned to a Uniprot residue.
Cysteine 2009 in protein B could not be asigned to a Uniprot residue.
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