ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Omega-conotoxin MVIIA

Intermolecular
Cysteine 1322 of Voltage-dependent N-type calcium channel subunit alpha-1B and cysteine 46
Cysteine 1311 of Voltage-dependent N-type calcium channel subunit alpha-1B and cysteine 46
A redox-regulated disulphide may form between cysteine 1322 of Voltage-dependent N-type calcium channel subunit alpha-1B and cysteine 46 of Omega-conotoxin MVIIA (1322 and 1 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
7vfu
Structure name
human n-type voltage gated calcium channel cav2
Structure deposition date
2021-09-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Voltage-dependent N-type calcium channel subunit alpha-1B
Peptide B name
Omega-conotoxin MVIIA
Peptide A accession
Q00975
Peptide B accession
P05484
Peptide A residue number
1322
Peptide B residue number
46

Ligandability

Cysteine 1322 of Voltage-dependent N-type calcium channel subunit alpha-1B

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 46 of Omega-conotoxin MVIIA

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 cysteine 1311 of Voltage-dependent N-type calcium channel subunit alpha-1B and cysteine 46 of Omega-conotoxin MVIIA (1311 and 1 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7mix
Structure name
human n-type voltage-gated calcium channel cav2
Structure deposition date
2021-04-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Voltage-dependent N-type calcium channel subunit alpha-1B
Peptide B name
Omega-conotoxin MVIIA
Peptide A accession
Q00975
Peptide B accession
P05484
Peptide A residue number
1311
Peptide B residue number
46

Ligandability

Cysteine 1311 of Voltage-dependent N-type calcium channel subunit alpha-1B

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 46 of Omega-conotoxin MVIIA

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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