ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Kappa-type opioid receptor

Intermolecular
Cysteine 345 and cysteine 345
Intramolecular
Cysteine 131 and cysteine 210
Cysteine 340 and cysteine 345
Cysteine 161 and cysteine 245
A redox-regulated disulphide may form between two units of Kappa-type opioid receptor at cysteines 345 and 345. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
4djh
Structure name
structure of the human kappa opioid receptor in complex with jdtic
Structure deposition date
2012-02-01
Thiol separation (Å)
8
Half-sphere exposure sum ?
49
Minimum pKa ?
10
% buried
60
Peptide A name
Kappa-type opioid receptor
Peptide B name
Kappa-type opioid receptor
Peptide A accession
P41145
Peptide B accession
P41145
Peptide A residue number
345
Peptide B residue number
345

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 Kappa-type opioid receptor between cysteines 131 and 210.

Details

Redox score ?
85
PDB code
6b73
Structure name
crystal structure of a nanobody-stabilized active state of the kappa- opioid receptor
Structure deposition date
2017-10-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41145
Residue number A
131
Residue number B
210
Peptide name
Kappa-type opioid receptor

Ligandability

Cysteine 131 of Kappa-type opioid 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 210 of Kappa-type opioid 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 Kappa-type opioid receptor between cysteines 340 and 345. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
6vi4
Structure name
nanobody-enabled monitoring of kappa opioid receptor states
Structure deposition date
2020-01-11
Thiol separation (Å)
10
Half-sphere exposure sum ?
38
Minimum pKa ?
9
% buried
9
Peptide accession
P41145
Residue number A
340
Residue number B
345
Peptide name
Kappa-type opioid receptor

Ligandability

Cysteine 340 of Kappa-type opioid 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 345 of Kappa-type opioid 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 Kappa-type opioid receptor between cysteines 161 and 245. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
6vi4
Structure name
nanobody-enabled monitoring of kappa opioid receptor states
Structure deposition date
2020-01-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
61
Minimum pKa ?
10
% buried
40
Peptide accession
P41145
Residue number A
161
Residue number B
245
Peptide name
Kappa-type opioid receptor

Ligandability

Cysteine 161 of Kappa-type opioid 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 245 of Kappa-type opioid 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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