ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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ATP receptor

Intramolecular
Cysteine 136 and cysteine 163
Cysteine 130 and cysteine 153
Cysteine 261 and cysteine 270
Cysteine 217 and cysteine 227
Cysteine 120 and cysteine 169
Cysteine 130 and cysteine 136
Cysteine 136 and cysteine 153
Cysteine 130 and cysteine 163
Cysteine 153 and cysteine 163
A redox-regulated disulphide may form within ATP receptor between cysteines 136 and 163 (135 and 162 respectively in this structure).

Details

Redox score ?
86
PDB code
5u1v
Structure name
crystal structure of the atp-gated p2x7 ion channel bound to allosteric antagonist a804598
Structure deposition date
2016-11-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
G1M6C4
Residue number A
136
Residue number B
163
Peptide name
ATP receptor

Ligandability

Cysteine 136 of ATP 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 163 of ATP 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 ATP receptor between cysteines 130 and 153 (129 and 152 respectively in this structure).

Details

Redox score ?
86
PDB code
5u1u
Structure name
crystal structure of the atp-gated p2x7 ion channel bound to allosteric antagonist a740003
Structure deposition date
2016-11-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
G1M6C4
Residue number A
130
Residue number B
153
Peptide name
ATP receptor

Ligandability

Cysteine 130 of ATP 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 153 of ATP 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 ATP receptor between cysteines 261 and 270 (260 and 269 respectively in this structure).

Details

Redox score ?
86
PDB code
5u1l
Structure name
crystal structure of the atp-gated p2x7 ion channel in the closed, apo state
Structure deposition date
2016-11-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
G1M6C4
Residue number A
261
Residue number B
270
Peptide name
ATP receptor

Ligandability

Cysteine 261 of ATP 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 270 of ATP 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 ATP receptor between cysteines 217 and 227 (216 and 226 respectively in this structure).

Details

Redox score ?
83
PDB code
5u2h
Structure name
crystal structure of the atp-gated p2x7 ion channel bound to atp and allosteric antagonist a804598
Structure deposition date
2016-11-30
Thiol separation (Å)
3
Half-sphere exposure sum ?
50
Minimum pKa ?
9
% buried
6
Peptide accession
G1M6C4
Residue number A
217
Residue number B
227
Peptide name
ATP receptor

Ligandability

Cysteine 217 of ATP 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 227 of ATP 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 ATP receptor between cysteines 120 and 169 (119 and 168 respectively in this structure).

Details

Redox score ?
80
PDB code
5u1x
Structure name
crystal structure of the atp-gated p2x7 ion channel bound to allosteric antagonist jnj47965567
Structure deposition date
2016-11-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
G1M6C4
Residue number A
120
Residue number B
169
Peptide name
ATP receptor

Ligandability

Cysteine 120 of ATP 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 169 of ATP 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 ATP receptor between cysteines 130 and 136 (129 and 135 respectively in this structure).

Details

Redox score ?
79
PDB code
5u1l
Structure name
crystal structure of the atp-gated p2x7 ion channel in the closed, apo state
Structure deposition date
2016-11-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
G1M6C4
Residue number A
130
Residue number B
136
Peptide name
ATP receptor

Ligandability

Cysteine 130 of ATP 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 136 of ATP 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 ATP receptor between cysteines 136 and 153 (135 and 152 respectively in this structure).

Details

Redox score ?
72
PDB code
5u1u
Structure name
crystal structure of the atp-gated p2x7 ion channel bound to allosteric antagonist a740003
Structure deposition date
2016-11-29
Thiol separation (Å)
5
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
G1M6C4
Residue number A
136
Residue number B
153
Peptide name
ATP receptor

Ligandability

Cysteine 136 of ATP 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 153 of ATP 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 ATP receptor between cysteines 130 and 163 (129 and 162 respectively in this structure).

Details

Redox score ?
66
PDB code
5u2h
Structure name
crystal structure of the atp-gated p2x7 ion channel bound to atp and allosteric antagonist a804598
Structure deposition date
2016-11-30
Thiol separation (Å)
5
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide accession
G1M6C4
Residue number A
130
Residue number B
163
Peptide name
ATP receptor

Ligandability

Cysteine 130 of ATP 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 163 of ATP 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 ATP receptor between cysteines 153 and 163 (152 and 162 respectively in this structure).

Details

Redox score ?
60
PDB code
5u1w
Structure name
crystal structure of the atp-gated p2x7 ion channel bound to allosteric antagonist az10606120
Structure deposition date
2016-11-29
Thiol separation (Å)
6
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
G1M6C4
Residue number A
153
Residue number B
163
Peptide name
ATP receptor

Ligandability

Cysteine 153 of ATP 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 163 of ATP 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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