ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Nesprin-1

Intermolecular
Cysteine 630 of SUN domain-containing protein 1 and cysteine 8774
Intramolecular
Cysteine 2081 and cysteine 2082
A redox-regulated disulphide may form between cysteine 630 of SUN domain-containing protein 1 and cysteine 8774 of Nesprin-1 (657 and 8774 respectively in this structure).

Details

Redox score ?
83
PDB code
6r15
Structure name
crystal structure of the sun1-kash1 6:6 complex
Structure deposition date
2019-03-13
Thiol separation (Å)
2
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide A name
SUN domain-containing protein 1
Peptide B name
Nesprin-1
Peptide A accession
O94901
Peptide B accession
Q8NF91
Peptide A residue number
630
Peptide B residue number
8774

Ligandability

Cysteine 630 of SUN domain-containing protein 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 8774 of Nesprin-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 Nesprin-1 between cysteines 2081 and 2082.

Details

Redox score ?
64
PDB code
6xf2
Structure name
nesprin-1g (aa2070-2200)-fhod1(aa1-339) complex, h
Structure deposition date
2020-06-15
Thiol separation (Å)
6
Half-sphere exposure sum ?
28
Minimum pKa ?
9
% buried
0
Peptide accession
Q8NF91
Residue number A
2081
Residue number B
2082
Peptide name
Nesprin-1

Ligandability

Cysteine 2081 of Nesprin-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 2082 of Nesprin-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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