ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Nucleotide-binding oligomerization domain-containing protein 1

Intermolecular
Cysteine 39 and cysteine 39
Intramolecular
Cysteine 59 and cysteine 61
A redox-regulated disulphide may form between two units of Nucleotide-binding oligomerization domain-containing protein 1 at cysteines 39 and 39.

Details

Redox score ?
82
PDB code
4e9m
Structure name
nod1 card domain with three disulfide-clinched, domain-swapped dimers in the asymmetric unit
Structure deposition date
2012-03-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide A name
Nucleotide-binding oligomerization domain-containing protein 1
Peptide B name
Nucleotide-binding oligomerization domain-containing protein 1
Peptide A accession
Q9Y239
Peptide B accession
Q9Y239
Peptide A residue number
39
Peptide B residue number
39

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 Nucleotide-binding oligomerization domain-containing protein 1 between cysteines 59 and 61. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
4e9m
Structure name
nod1 card domain with three disulfide-clinched, domain-swapped dimers in the asymmetric unit
Structure deposition date
2012-03-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
59
Peptide accession
Q9Y239
Residue number A
59
Residue number B
61
Peptide name
Nucleotide-binding oligomerization domain-containing protein 1

Ligandability

Cysteine 59 of Nucleotide-binding oligomerization 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 61 of Nucleotide-binding oligomerization 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.

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