ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Neurexin-1

Intramolecular
Cysteine 1115 and cysteine 1130
Cysteine 708 and cysteine 723
Cysteine 703 and cysteine 714
Cysteine 1110 and cysteine 1121
Cysteine 1132 and cysteine 1142
Cysteine 906 and cysteine 914
Cysteine 725 and cysteine 735
Cysteine 1075 and cysteine 1103
Cysteine 666 and cysteine 695
Cysteine 460 and cysteine 496
More...
Cysteine 708 and cysteine 714
Cysteine 714 and cysteine 723
Cysteine 1115 and cysteine 1121
Cysteine 723 and cysteine 735
Cysteine 708 and cysteine 735
Cysteine 1115 and cysteine 1142
Cysteine 1130 and cysteine 1142
Cysteine 1121 and cysteine 1130
Cysteine 703 and cysteine 708
Cysteine 723 and cysteine 725
Cysteine 1110 and cysteine 1115
Cysteine 703 and cysteine 723
Cysteine 1130 and cysteine 1132
Cysteine 1110 and cysteine 1130
Cysteine 1115 and cysteine 1132
Cysteine 708 and cysteine 725
Cysteine 714 and cysteine 735
Cysteine 1121 and cysteine 1142
Cysteine 714 and cysteine 725
A redox-regulated disulphide may form within Neurexin-1 between cysteines 1115 and 1130 (1099 and 1114 respectively in this structure).

Details

Redox score ?
89
PDB code
3qcw
Structure name
structure of neurexin 1 alpha (domains lns1-lns6), no splice inserts
Structure deposition date
2011-01-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
1115
Residue number B
1130
Peptide name
Neurexin-1

Ligandability

Cysteine 1115 of Neurexin-1

Cysteine 1130 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 708 and 723 (692 and 707 respectively in this structure).

Details

Redox score ?
88
PDB code
3qcw
Structure name
structure of neurexin 1 alpha (domains lns1-lns6), no splice inserts
Structure deposition date
2011-01-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
708
Residue number B
723
Peptide name
Neurexin-1

Ligandability

Cysteine 708 of Neurexin-1

Cysteine 723 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 703 and 714.

Details

Redox score ?
88
PDB code
3poy
Structure name
crystal structure of the alpha-neurexin-1 ectodomain, lns 2-6
Structure deposition date
2010-11-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
703
Residue number B
714
Peptide name
Neurexin-1

Ligandability

Cysteine 703 of Neurexin-1

Cysteine 714 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 1110 and 1121 (1050 and 1061 respectively in this structure).

Details

Redox score ?
88
PDB code
3asi
Structure name
alpha-neurexin-1 ectodomain fragment; lns5-egf3-lns6
Structure deposition date
2010-12-13
Thiol separation (Å)
2
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
1110
Residue number B
1121
Peptide name
Neurexin-1

Ligandability

Cysteine 1110 of Neurexin-1

Cysteine 1121 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 1132 and 1142 (1116 and 1126 respectively in this structure).

Details

Redox score ?
86
PDB code
3qcw
Structure name
structure of neurexin 1 alpha (domains lns1-lns6), no splice inserts
Structure deposition date
2011-01-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
1132
Residue number B
1142
Peptide name
Neurexin-1

Ligandability

Cysteine 1132 of Neurexin-1

Cysteine 1142 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 906 and 914 (890 and 898 respectively in this structure).

Details

Redox score ?
86
PDB code
2r16
Structure name
crystal structure of bovine neurexin 1 alpha lns/lg domain 4 (with no splice insert)
Structure deposition date
2007-08-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
906
Residue number B
914
Peptide name
Neurexin-1

Ligandability

Cysteine 906 of Neurexin-1

Cysteine 914 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 725 and 735 (709 and 719 respectively in this structure).

Details

Redox score ?
84
PDB code
3r05
Structure name
structure of neurexin 1 alpha (domains lns1-lns6), with splice insert ss3
Structure deposition date
2011-03-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
725
Residue number B
735
Peptide name
Neurexin-1

Ligandability

Cysteine 725 of Neurexin-1

Cysteine 735 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 1075 and 1103.

Details

Redox score ?
82
PDB code
3poy
Structure name
crystal structure of the alpha-neurexin-1 ectodomain, lns 2-6
Structure deposition date
2010-11-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
1075
Residue number B
1103
Peptide name
Neurexin-1

Ligandability

Cysteine 1075 of Neurexin-1

Cysteine 1103 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 666 and 695.

Details

Redox score ?
81
PDB code
3poy
Structure name
crystal structure of the alpha-neurexin-1 ectodomain, lns 2-6
Structure deposition date
2010-11-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
666
Residue number B
695
Peptide name
Neurexin-1

Ligandability

Cysteine 666 of Neurexin-1

Cysteine 695 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 460 and 496 (444 and 480 respectively in this structure).

Details

Redox score ?
81
PDB code
6cw1
Structure name
crystal structure of neurexin-1 alpha ectodomain fragment, l2-l3
Structure deposition date
2018-03-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
460
Residue number B
496
Peptide name
Neurexin-1

Ligandability

Cysteine 460 of Neurexin-1

Cysteine 496 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 708 and 714 (692 and 698 respectively in this structure).

Details

Redox score ?
80
PDB code
3qcw
Structure name
structure of neurexin 1 alpha (domains lns1-lns6), no splice inserts
Structure deposition date
2011-01-17
Thiol separation (Å)
3
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
708
Residue number B
714
Peptide name
Neurexin-1

Ligandability

Cysteine 708 of Neurexin-1

Cysteine 714 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 714 and 723.

Details

Redox score ?
76
PDB code
3poy
Structure name
crystal structure of the alpha-neurexin-1 ectodomain, lns 2-6
Structure deposition date
2010-11-23
Thiol separation (Å)
4
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
714
Residue number B
723
Peptide name
Neurexin-1

Ligandability

Cysteine 714 of Neurexin-1

Cysteine 723 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 1115 and 1121 (1055 and 1061 respectively in this structure).

Details

Redox score ?
75
PDB code
3asi
Structure name
alpha-neurexin-1 ectodomain fragment; lns5-egf3-lns6
Structure deposition date
2010-12-13
Thiol separation (Å)
4
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
1115
Residue number B
1121
Peptide name
Neurexin-1

Ligandability

Cysteine 1115 of Neurexin-1

Cysteine 1121 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 723 and 735 (707 and 719 respectively in this structure).

Details

Redox score ?
72
PDB code
3qcw
Structure name
structure of neurexin 1 alpha (domains lns1-lns6), no splice inserts
Structure deposition date
2011-01-17
Thiol separation (Å)
5
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
723
Residue number B
735
Peptide name
Neurexin-1

Ligandability

Cysteine 723 of Neurexin-1

Cysteine 735 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 708 and 735.

Details

Redox score ?
71
PDB code
3poy
Structure name
crystal structure of the alpha-neurexin-1 ectodomain, lns 2-6
Structure deposition date
2010-11-23
Thiol separation (Å)
5
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
708
Residue number B
735
Peptide name
Neurexin-1

Ligandability

Cysteine 708 of Neurexin-1

Cysteine 735 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 1115 and 1142 (1055 and 1082 respectively in this structure).

Details

Redox score ?
70
PDB code
3asi
Structure name
alpha-neurexin-1 ectodomain fragment; lns5-egf3-lns6
Structure deposition date
2010-12-13
Thiol separation (Å)
5
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
1115
Residue number B
1142
Peptide name
Neurexin-1

Ligandability

Cysteine 1115 of Neurexin-1

Cysteine 1142 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 1130 and 1142 (1114 and 1126 respectively in this structure).

Details

Redox score ?
70
PDB code
3r05
Structure name
structure of neurexin 1 alpha (domains lns1-lns6), with splice insert ss3
Structure deposition date
2011-03-07
Thiol separation (Å)
5
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
1130
Residue number B
1142
Peptide name
Neurexin-1

Ligandability

Cysteine 1130 of Neurexin-1

Cysteine 1142 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 1121 and 1130.

Details

Redox score ?
69
PDB code
3poy
Structure name
crystal structure of the alpha-neurexin-1 ectodomain, lns 2-6
Structure deposition date
2010-11-23
Thiol separation (Å)
5
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
1121
Residue number B
1130
Peptide name
Neurexin-1

Ligandability

Cysteine 1121 of Neurexin-1

Cysteine 1130 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 703 and 708 (687 and 692 respectively in this structure).

Details

Redox score ?
67
PDB code
3qcw
Structure name
structure of neurexin 1 alpha (domains lns1-lns6), no splice inserts
Structure deposition date
2011-01-17
Thiol separation (Å)
6
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
703
Residue number B
708
Peptide name
Neurexin-1

Ligandability

Cysteine 703 of Neurexin-1

Cysteine 708 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 723 and 725.

Details

Redox score ?
66
PDB code
3poy
Structure name
crystal structure of the alpha-neurexin-1 ectodomain, lns 2-6
Structure deposition date
2010-11-23
Thiol separation (Å)
5
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
723
Residue number B
725
Peptide name
Neurexin-1

Ligandability

Cysteine 723 of Neurexin-1

Cysteine 725 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 1110 and 1115.

Details

Redox score ?
65
PDB code
3poy
Structure name
crystal structure of the alpha-neurexin-1 ectodomain, lns 2-6
Structure deposition date
2010-11-23
Thiol separation (Å)
6
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
1110
Residue number B
1115
Peptide name
Neurexin-1

Ligandability

Cysteine 1110 of Neurexin-1

Cysteine 1115 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 703 and 723.

Details

Redox score ?
65
PDB code
3poy
Structure name
crystal structure of the alpha-neurexin-1 ectodomain, lns 2-6
Structure deposition date
2010-11-23
Thiol separation (Å)
6
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
703
Residue number B
723
Peptide name
Neurexin-1

Ligandability

Cysteine 703 of Neurexin-1

Cysteine 723 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 1130 and 1132 (1114 and 1116 respectively in this structure).

Details

Redox score ?
64
PDB code
3qcw
Structure name
structure of neurexin 1 alpha (domains lns1-lns6), no splice inserts
Structure deposition date
2011-01-17
Thiol separation (Å)
6
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
1130
Residue number B
1132
Peptide name
Neurexin-1

Ligandability

Cysteine 1130 of Neurexin-1

Cysteine 1132 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 1110 and 1130. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
3poy
Structure name
crystal structure of the alpha-neurexin-1 ectodomain, lns 2-6
Structure deposition date
2010-11-23
Thiol separation (Å)
7
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
1110
Residue number B
1130
Peptide name
Neurexin-1

Ligandability

Cysteine 1110 of Neurexin-1

Cysteine 1130 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 1115 and 1132 (1099 and 1116 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
3r05
Structure name
structure of neurexin 1 alpha (domains lns1-lns6), with splice insert ss3
Structure deposition date
2011-03-07
Thiol separation (Å)
7
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
1115
Residue number B
1132
Peptide name
Neurexin-1

Ligandability

Cysteine 1115 of Neurexin-1

Cysteine 1132 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 708 and 725 (692 and 709 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
3qcw
Structure name
structure of neurexin 1 alpha (domains lns1-lns6), no splice inserts
Structure deposition date
2011-01-17
Thiol separation (Å)
7
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
708
Residue number B
725
Peptide name
Neurexin-1

Ligandability

Cysteine 708 of Neurexin-1

Cysteine 725 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 714 and 735 (698 and 719 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
3qcw
Structure name
structure of neurexin 1 alpha (domains lns1-lns6), no splice inserts
Structure deposition date
2011-01-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
714
Residue number B
735
Peptide name
Neurexin-1

Ligandability

Cysteine 714 of Neurexin-1

Cysteine 735 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 1121 and 1142 (1061 and 1082 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
3asi
Structure name
alpha-neurexin-1 ectodomain fragment; lns5-egf3-lns6
Structure deposition date
2010-12-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
1121
Residue number B
1142
Peptide name
Neurexin-1

Ligandability

Cysteine 1121 of Neurexin-1

Cysteine 1142 of Neurexin-1

A redox-regulated disulphide may form within Neurexin-1 between cysteines 714 and 725. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
3poy
Structure name
crystal structure of the alpha-neurexin-1 ectodomain, lns 2-6
Structure deposition date
2010-11-23
Thiol separation (Å)
9
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q28146
Residue number A
714
Residue number B
725
Peptide name
Neurexin-1

Ligandability

Cysteine 714 of Neurexin-1

Cysteine 725 of Neurexin-1

If this tool was useful for finding a disulphide, please cite: