ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Transient receptor potential cation channel subfamily A member 1

Intramolecular
Cysteine 1021 and cysteine 1025
Cysteine 621 and cysteine 665
Cysteine 641 and cysteine 703
A redox-regulated disulphide may form within Transient receptor potential cation channel subfamily A member 1 between cysteines 1021 and 1025.

Details

Redox score ?
70
PDB code
6pqp
Structure name
cryo-em structure of the human trpa1 ion channel in complex with the covalent agonist bitc
Structure deposition date
2019-07-09
Thiol separation (Å)
5
Half-sphere exposure sum ?
43
Minimum pKa ?
10
% buried
34
Peptide accession
O75762
Residue number A
1021
Residue number B
1025
Peptide name
Transient receptor potential cation channel subfamily A member 1

Ligandability

Cysteine 1021 of Transient receptor potential cation channel subfamily A member 1

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 1025 of Transient receptor potential cation channel subfamily A member 1

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 Transient receptor potential cation channel subfamily A member 1 between cysteines 621 and 665. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
6pqo
Structure name
cryo-em structure of the human trpa1 ion channel in complex with the covalent agonist jt010
Structure deposition date
2019-07-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
58
Minimum pKa ?
11
% buried
76
Peptide accession
O75762
Residue number A
621
Residue number B
665
Peptide name
Transient receptor potential cation channel subfamily A member 1

Ligandability

Cysteine 621 of Transient receptor potential cation channel subfamily A member 1

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 665 of Transient receptor potential cation channel subfamily A member 1

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 Transient receptor potential cation channel subfamily A member 1 between cysteines 641 and 703. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
6wj5
Structure name
structure of human trpa1 in complex with inhibitor gdc-0334
Structure deposition date
2020-04-11
Thiol separation (Å)
10
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
80
Peptide accession
O75762
Residue number A
641
Residue number B
703
Peptide name
Transient receptor potential cation channel subfamily A member 1

Ligandability

Cysteine 641 of Transient receptor potential cation channel subfamily A member 1

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 703 of Transient receptor potential cation channel subfamily A member 1

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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