ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1

Intermolecular
Cysteine 358 and cysteine 358
Intramolecular
Cysteine 559 and cysteine 358
Cysteine 309 and cysteine 385
Cysteine 309 and cysteine 314
A redox-regulated disulphide may form between two units of Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 at cysteines 358 and 358. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
23
PDB code
6uqf
Structure name
human hcn1 channel in a hyperpolarized conformation
Structure deposition date
2019-10-19
Thiol separation (Å)
10
Half-sphere exposure sum ?
96
Minimum pKa ?
13
% buried
100
Peptide A name
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
Peptide B name
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
Peptide A accession
O60741
Peptide B accession
O60741
Peptide A residue number
358
Peptide B residue number
358

Ligandability

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/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 between cysteines 559 and 358 (186 and 264 respectively in this structure).

Details

Redox score ?
78
PDB code
6uqf
Structure name
human hcn1 channel in a hyperpolarized conformation
Structure deposition date
2019-10-19
Thiol separation (Å)
4
Half-sphere exposure sum ?
75
Minimum pKa ?
5
% buried
79
Peptide accession
O60741
Residue number A
559
Residue number B
358
Peptide name
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1

Ligandability

Cysteine 559 of Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 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 358 of Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 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 Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 between cysteines 309 and 385. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
6uqf
Structure name
human hcn1 channel in a hyperpolarized conformation
Structure deposition date
2019-10-19
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
79
Peptide accession
O60741
Residue number A
309
Residue number B
385
Peptide name
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1

Ligandability

Cysteine 309 of Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 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 385 of Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 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 Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 between cysteines 309 and 314. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
5u6o
Structure name
structure of the human hcn1 hyperpolarization-activated cyclic nucleotide-gated ion channel
Structure deposition date
2016-12-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
77
Minimum pKa ?
12
% buried
92
Peptide accession
O60741
Residue number A
309
Residue number B
314
Peptide name
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1

Ligandability

Cysteine 309 of Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 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 314 of Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 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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