a tool for identifying drug-targetable redox-active disulphides

Neurofascin

Intramolecular

Cysteine 162 and cysteine 213

Cysteine 358 and cysteine 408

Cysteine 63 and cysteine 118

Cysteine 268 and cysteine 316

A redox-regulated disulphide may form within Neurofascin between cysteines 162 and 213.

Details

Redox score ?

83

PDB code

Structure name

crystal structure of neurofascin homophilic adhesion complex in space group p6522

Structure deposition date

2010-10-05

Thiol separation (Å)

2

Half-sphere exposure sum ?

65

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

162

Residue number B

213

Peptide name

Neurofascin

Ligandability

Cysteine 162 of Neurofascin

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 213 of Neurofascin

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 Neurofascin between cysteines 358 and 408.

Details

Redox score ?

80

PDB code

Structure name

crystal structure of neurofascin homophilic adhesion complex in space group p6522

Structure deposition date

2010-10-05

Thiol separation (Å)

2

Half-sphere exposure sum ?

80

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

358

Residue number B

408

Peptide name

Neurofascin

Ligandability

Cysteine 358 of Neurofascin

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 408 of Neurofascin

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 Neurofascin between cysteines 63 and 118.

Details

Redox score ?

80

PDB code

Structure name

crystal structure of neurofascin homophilic adhesion complex in space group p6522

Structure deposition date

2010-10-05

Thiol separation (Å)

2

Half-sphere exposure sum ?

84

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

63

Residue number B

118

Peptide name

Neurofascin

Ligandability

Cysteine 63 of Neurofascin

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 118 of Neurofascin

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 Neurofascin between cysteines 268 and 316.

Details

Redox score ?

78

PDB code

Structure name

crystal structure of neurofascin adhesion complex in space group p3221

Structure deposition date

2010-10-05

Thiol separation (Å)

2

Half-sphere exposure sum ?

86

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

268

Residue number B

316

Peptide name

Neurofascin

Ligandability

Cysteine 268 of Neurofascin

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 316 of Neurofascin

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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