ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Neural cell adhesion molecule 1

Intramolecular
Cysteine 235 and cysteine 288
Cysteine 139 and cysteine 189
Cysteine 41 and cysteine 96
Cysteine 436 and cysteine 489
A redox-regulated disulphide may form within Neural cell adhesion molecule 1 between cysteines 235 and 288 (216 and 269 respectively in this structure).

Details

Redox score ?
81
PDB code
1qz1
Structure name
crystal structure of the ig 1-2-3 fragment of ncam
Structure deposition date
2003-09-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
P13596
Residue number A
235
Residue number B
288
Peptide name
Neural cell adhesion molecule 1

Ligandability

Cysteine 235 of Neural cell adhesion molecule 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 288 of Neural cell adhesion molecule 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 Neural cell adhesion molecule 1 between cysteines 139 and 189 (23 and 73 respectively in this structure).

Details

Redox score ?
81
PDB code
3ncm
Structure name
neural cell adhesion molecule, module 2, nmr, 20 structures
Structure deposition date
1998-09-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
P13594
Residue number A
139
Residue number B
189
Peptide name
Neural cell adhesion molecule 1

Ligandability

Cysteine 139 of Neural cell adhesion molecule 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 189 of Neural cell adhesion molecule 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 Neural cell adhesion molecule 1 between cysteines 41 and 96 (22 and 77 respectively in this structure).

Details

Redox score ?
81
PDB code
5aea
Structure name
crystal structure of human ncam domain 1
Structure deposition date
2015-08-27
Thiol separation (Å)
2
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
P13591
Residue number A
41
Residue number B
96
Peptide name
Neural cell adhesion molecule 1

Ligandability

Cysteine 41 of Neural cell adhesion molecule 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 96 of Neural cell adhesion molecule 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 Neural cell adhesion molecule 1 between cysteines 436 and 489 (426 and 479 respectively in this structure).

Details

Redox score ?
80
PDB code
3mtr
Structure name
crystal structure of the ig5-fn1 tandem of human ncam
Structure deposition date
2010-04-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
P13591
Residue number A
436
Residue number B
489
Peptide name
Neural cell adhesion molecule 1

Ligandability

Cysteine 436 of Neural cell adhesion molecule 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 489 of Neural cell adhesion molecule 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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