ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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CCN family member 3

Intramolecular
Cysteine 200 and cysteine 229
Cysteine 149 and cysteine 167
Cysteine 214 and cysteine 243
Cysteine 104 and cysteine 127
Cysteine 210 and cysteine 238
Cysteine 121 and cysteine 161
Cysteine 125 and cysteine 134
Cysteine 138 and cysteine 162
Cysteine 161 and cysteine 162
Cysteine 138 and cysteine 161
More...
Cysteine 121 and cysteine 162
Cysteine 121 and cysteine 138
Cysteine 210 and cysteine 243
Cysteine 210 and cysteine 214
Cysteine 104 and cysteine 134
A redox-regulated disulphide may form within CCN family member 3 between cysteines 200 and 229.

Details

Redox score ?
90
PDB code
6rk1
Structure name
crystal structure of tsp1 domain from ccn3
Structure deposition date
2019-04-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
31
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QZQ5
Residue number A
200
Residue number B
229
Peptide name
CCN family member 3

Ligandability

Cysteine 200 of CCN family member 3

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 229 of CCN family member 3

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 CCN family member 3 between cysteines 149 and 167.

Details

Redox score ?
88
PDB code
5nb8
Structure name
structure of vwc domain from ccn3
Structure deposition date
2017-03-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
37
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QZQ5
Residue number A
149
Residue number B
167
Peptide name
CCN family member 3

Ligandability

Cysteine 149 of CCN family member 3

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 167 of CCN family member 3

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 CCN family member 3 between cysteines 214 and 243.

Details

Redox score ?
88
PDB code
6rk1
Structure name
crystal structure of tsp1 domain from ccn3
Structure deposition date
2019-04-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
31
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QZQ5
Residue number A
214
Residue number B
243
Peptide name
CCN family member 3

Ligandability

Cysteine 214 of CCN family member 3

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 243 of CCN family member 3

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 CCN family member 3 between cysteines 104 and 127.

Details

Redox score ?
87
PDB code
5nb8
Structure name
structure of vwc domain from ccn3
Structure deposition date
2017-03-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QZQ5
Residue number A
104
Residue number B
127
Peptide name
CCN family member 3

Ligandability

Cysteine 104 of CCN family member 3

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 127 of CCN family member 3

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 CCN family member 3 between cysteines 210 and 238.

Details

Redox score ?
86
PDB code
6rk1
Structure name
crystal structure of tsp1 domain from ccn3
Structure deposition date
2019-04-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
44
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QZQ5
Residue number A
210
Residue number B
238
Peptide name
CCN family member 3

Ligandability

Cysteine 210 of CCN family member 3

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 238 of CCN family member 3

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 CCN family member 3 between cysteines 121 and 161.

Details

Redox score ?
85
PDB code
5nb8
Structure name
structure of vwc domain from ccn3
Structure deposition date
2017-03-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
35
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QZQ5
Residue number A
121
Residue number B
161
Peptide name
CCN family member 3

Ligandability

Cysteine 121 of CCN family member 3

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 161 of CCN family member 3

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 CCN family member 3 between cysteines 125 and 134.

Details

Redox score ?
84
PDB code
5nb8
Structure name
structure of vwc domain from ccn3
Structure deposition date
2017-03-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QZQ5
Residue number A
125
Residue number B
134
Peptide name
CCN family member 3

Ligandability

Cysteine 125 of CCN family member 3

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 134 of CCN family member 3

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 CCN family member 3 between cysteines 138 and 162.

Details

Redox score ?
82
PDB code
5nb8
Structure name
structure of vwc domain from ccn3
Structure deposition date
2017-03-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QZQ5
Residue number A
138
Residue number B
162
Peptide name
CCN family member 3

Ligandability

Cysteine 138 of CCN family member 3

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 162 of CCN family member 3

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 CCN family member 3 between cysteines 161 and 162.

Details

Redox score ?
75
PDB code
5nb8
Structure name
structure of vwc domain from ccn3
Structure deposition date
2017-03-01
Thiol separation (Å)
4
Half-sphere exposure sum ?
39
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QZQ5
Residue number A
161
Residue number B
162
Peptide name
CCN family member 3

Ligandability

Cysteine 161 of CCN family member 3

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 162 of CCN family member 3

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 CCN family member 3 between cysteines 138 and 161.

Details

Redox score ?
69
PDB code
5nb8
Structure name
structure of vwc domain from ccn3
Structure deposition date
2017-03-01
Thiol separation (Å)
4
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QZQ5
Residue number A
138
Residue number B
161
Peptide name
CCN family member 3

Ligandability

Cysteine 138 of CCN family member 3

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 161 of CCN family member 3

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 CCN family member 3 between cysteines 121 and 162.

Details

Redox score ?
62
PDB code
5nb8
Structure name
structure of vwc domain from ccn3
Structure deposition date
2017-03-01
Thiol separation (Å)
6
Half-sphere exposure sum ?
39
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QZQ5
Residue number A
121
Residue number B
162
Peptide name
CCN family member 3

Ligandability

Cysteine 121 of CCN family member 3

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 162 of CCN family member 3

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 CCN family member 3 between cysteines 121 and 138.

Details

Redox score ?
61
PDB code
5nb8
Structure name
structure of vwc domain from ccn3
Structure deposition date
2017-03-01
Thiol separation (Å)
6
Half-sphere exposure sum ?
38
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QZQ5
Residue number A
121
Residue number B
138
Peptide name
CCN family member 3

Ligandability

Cysteine 121 of CCN family member 3

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 138 of CCN family member 3

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 CCN family member 3 between cysteines 210 and 243. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
6rk1
Structure name
crystal structure of tsp1 domain from ccn3
Structure deposition date
2019-04-29
Thiol separation (Å)
10
Half-sphere exposure sum ?
36
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QZQ5
Residue number A
210
Residue number B
243
Peptide name
CCN family member 3

Ligandability

Cysteine 210 of CCN family member 3

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 243 of CCN family member 3

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 CCN family member 3 between cysteines 210 and 214. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
6rk1
Structure name
crystal structure of tsp1 domain from ccn3
Structure deposition date
2019-04-29
Thiol separation (Å)
10
Half-sphere exposure sum ?
38
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QZQ5
Residue number A
210
Residue number B
214
Peptide name
CCN family member 3

Ligandability

Cysteine 210 of CCN family member 3

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 214 of CCN family member 3

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 CCN family member 3 between cysteines 104 and 134. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
5nb8
Structure name
structure of vwc domain from ccn3
Structure deposition date
2017-03-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QZQ5
Residue number A
104
Residue number B
134
Peptide name
CCN family member 3

Ligandability

Cysteine 104 of CCN family member 3

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 134 of CCN family member 3

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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