ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Neurotrimin

Intramolecular
Cysteine 157 and cysteine 201
Cysteine 243 and cysteine 295
Cysteine 57 and cysteine 115
A redox-regulated disulphide may form within Neurotrimin between cysteines 157 and 201.

Details

Redox score ?
84
PDB code
6u7n
Structure name
crystal structure of neurotrimin (ntm)
Structure deposition date
2019-09-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9P121
Residue number A
157
Residue number B
201
Peptide name
Neurotrimin

Ligandability

Cysteine 157 of Neurotrimin

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 201 of Neurotrimin

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 Neurotrimin between cysteines 243 and 295.

Details

Redox score ?
80
PDB code
6u7n
Structure name
crystal structure of neurotrimin (ntm)
Structure deposition date
2019-09-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
84
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9P121
Residue number A
243
Residue number B
295
Peptide name
Neurotrimin

Ligandability

Cysteine 243 of Neurotrimin

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 295 of Neurotrimin

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 Neurotrimin between cysteines 57 and 115.

Details

Redox score ?
80
PDB code
6u7n
Structure name
crystal structure of neurotrimin (ntm)
Structure deposition date
2019-09-03
Thiol separation (Å)
3
Half-sphere exposure sum ?
69
Minimum pKa ?
7
% buried
58
Peptide accession
Q9P121
Residue number A
57
Residue number B
115
Peptide name
Neurotrimin

Ligandability

Cysteine 57 of Neurotrimin

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 115 of Neurotrimin

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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