a tool for identifying drug-targetable redox-active disulphides

Potassium voltage-gated channel subfamily D member 2

Intermolecular

Cysteine 132 and cysteine 111

Cysteine 133 and cysteine 111

Intramolecular

Cysteine 209 and cysteine 221

Cysteine 132 and cysteine 133

A redox-regulated disulphide may form between two units of Potassium voltage-gated channel subfamily D member 2 at cysteines 132 and 111.

Details

Redox score ?

76

PDB code

Structure name

cryoem structure of human kv4

Structure deposition date

2021-02-28

Thiol separation (Å)

4

Half-sphere exposure sum ?

65

Minimum pK_a ?

9

% buried

nan

Peptide A name

Potassium voltage-gated channel subfamily D member 2

Peptide B name

Potassium voltage-gated channel subfamily D member 2

Peptide A accession

Peptide B accession

Peptide A residue number

132

Peptide B residue number

111

Ligandability

Cysteine 132 of Potassium voltage-gated channel subfamily D member 2

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 111 of Potassium voltage-gated channel subfamily D member 2

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 between two units of Potassium voltage-gated channel subfamily D member 2 at cysteines 133 and 111. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

44

PDB code

Structure name

cryoem structure of human kv4

Structure deposition date

2021-02-28

Thiol separation (Å)

5

Half-sphere exposure sum ?

65

Minimum pK_a ?

21

% buried

nan

Peptide A name

Potassium voltage-gated channel subfamily D member 2

Peptide B name

Potassium voltage-gated channel subfamily D member 2

Peptide A accession

Peptide B accession

Peptide A residue number

133

Peptide B residue number

111

Ligandability

Cysteine 133 of Potassium voltage-gated channel subfamily D member 2

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 111 of Potassium voltage-gated channel subfamily D member 2

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 Potassium voltage-gated channel subfamily D member 2 between cysteines 209 and 221.

Details

Redox score ?

75

PDB code

Structure name

cryoem structure of human kv4

Structure deposition date

2021-02-28

Thiol separation (Å)

5

Half-sphere exposure sum ?

43

Minimum pK_a ?

9

% buried

0

Peptide accession

Residue number A

209

Residue number B

221

Peptide name

Potassium voltage-gated channel subfamily D member 2

Ligandability

Cysteine 209 of Potassium voltage-gated channel subfamily D member 2

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 221 of Potassium voltage-gated channel subfamily D member 2

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 Potassium voltage-gated channel subfamily D member 2 between cysteines 132 and 133.

Details

Redox score ?

71

PDB code

Structure name

cryoem structure of human kv4

Structure deposition date

2021-02-28

Thiol separation (Å)

4

Half-sphere exposure sum ?

60

Minimum pK_a ?

9

% buried

94

Peptide accession

Residue number A

132

Residue number B

133

Peptide name

Potassium voltage-gated channel subfamily D member 2

Ligandability

Cysteine 132 of Potassium voltage-gated channel subfamily D member 2

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 133 of Potassium voltage-gated channel subfamily D member 2

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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