ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Nlgn1 protein

Intramolecular
Cysteine 313 and cysteine 324
Cysteine 483 and cysteine 517
Cysteine 117 and cysteine 153
A redox-regulated disulphide may form within Nlgn1 protein between cysteines 313 and 324 (342 and 353 respectively in this structure).

Details

Redox score ?
85
PDB code
3b3q
Structure name
crystal structure of a synaptic adhesion complex
Structure deposition date
2007-10-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q4KMN5
Residue number A
313
Residue number B
324
Peptide name
Nlgn1 protein

Ligandability

Cysteine 313 of Nlgn1 protein

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 324 of Nlgn1 protein

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 Nlgn1 protein between cysteines 483 and 517 (512 and 546 respectively in this structure).

Details

Redox score ?
83
PDB code
3b3q
Structure name
crystal structure of a synaptic adhesion complex
Structure deposition date
2007-10-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q4KMN5
Residue number A
483
Residue number B
517
Peptide name
Nlgn1 protein

Ligandability

Cysteine 483 of Nlgn1 protein

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 517 of Nlgn1 protein

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 Nlgn1 protein between cysteines 117 and 153.

Details

Redox score ?
81
PDB code
3b3q
Structure name
crystal structure of a synaptic adhesion complex
Structure deposition date
2007-10-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q4KMN5
Residue number A
117
Residue number B
153
Peptide name
Nlgn1 protein

Ligandability

Cysteine 117 of Nlgn1 protein

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 153 of Nlgn1 protein

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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