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a tool for identifying drug-targetable redox-active disulphides

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Exocrine gland-secreted peptide 1

Intramolecular
Cysteine 63 and cysteine 95
Cysteine 637 and cysteine 687
Cysteine 1146 and cysteine 1151
Cysteine 817 and cysteine 860
Cysteine 2020 and cysteine 2054
Cysteine 1282 and cysteine 1283
Cysteine 484 and cysteine 506
Cysteine 1578 and cysteine 1607
Cysteine 1829 and cysteine 1862
Cysteine 1146 and cysteine 1148
More...
Cysteine 1151 and cysteine 1160
Cysteine 608 and cysteine 647
Cysteine 1148 and cysteine 1151
Cysteine 1027 and cysteine 1061 L
Cysteine 477 and cysteine 484
Cysteine 1146 and cysteine 1160
Cysteine 1148 and cysteine 1160
Cysteine 996 and cysteine 1011
Cysteine 1011 and cysteine 1027 L
Cysteine 1160 and cysteine 1191
A redox-regulated disulphide may form within Exocrine gland-secreted peptide 1 between cysteines 63 and 95.

Details

Redox score ?
84
PDB code
2lmk
Structure name
solution structure of mouse pheromone esp1
Structure deposition date
2011-12-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
39
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q3LHH8
Residue number A
63
Residue number B
95
Peptide name
Exocrine gland-secreted peptide 1

Ligandability

Cysteine 63 of Exocrine gland-secreted peptide 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 95 of Exocrine gland-secreted peptide 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 Separin between cysteines 637 and 687.

Details

Redox score ?
84
PDB code
7nj0
Structure name
cryoem structure of the human separase-cdk1-cyclin b1-cks1 complex
Structure deposition date
2021-02-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q14674
Residue number A
637
Residue number B
687
Peptide name
Separin

Ligandability

Cysteine 637 of Separin

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 687 of Separin

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 Separin between cysteines 1146 and 1151.

Details

Redox score ?
75
PDB code
7nj1
Structure name
cryoem structure of the human separase-securin complex
Structure deposition date
2021-02-14
Thiol separation (Å)
5
Half-sphere exposure sum ?
48
Minimum pKa ?
9
% buried
8
Peptide accession
Q14674
Residue number A
1146
Residue number B
1151
Peptide name
Separin

Ligandability

Cysteine 1146 of Separin

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 1151 of Separin

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 Separin between cysteines 817 and 860.

Details

Redox score ?
73
PDB code
7nj0
Structure name
cryoem structure of the human separase-cdk1-cyclin b1-cks1 complex
Structure deposition date
2021-02-14
Thiol separation (Å)
4
Half-sphere exposure sum ?
80
Minimum pKa ?
7
% buried
81
Peptide accession
Q14674
Residue number A
817
Residue number B
860
Peptide name
Separin

Ligandability

Cysteine 817 of Separin

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 860 of Separin

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 Separin between cysteines 2020 and 2054.

Details

Redox score ?
73
PDB code
7nj0
Structure name
cryoem structure of the human separase-cdk1-cyclin b1-cks1 complex
Structure deposition date
2021-02-14
Thiol separation (Å)
4
Half-sphere exposure sum ?
79
Minimum pKa ?
8
% buried
100
Peptide accession
Q14674
Residue number A
2020
Residue number B
2054
Peptide name
Separin

Ligandability

Cysteine 2020 of Separin

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 2054 of Separin

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 Separin between cysteines 1282 and 1283.

Details

Redox score ?
72
PDB code
7nj0
Structure name
cryoem structure of the human separase-cdk1-cyclin b1-cks1 complex
Structure deposition date
2021-02-14
Thiol separation (Å)
6
Half-sphere exposure sum ?
nan
Minimum pKa ?
8
% buried
0
Peptide accession
Q14674
Residue number A
1282
Residue number B
1283
Peptide name
Separin

Ligandability

Cysteine 1282 of Separin

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 1283 of Separin

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 Separin between cysteines 484 and 506.

Details

Redox score ?
71
PDB code
7nj1
Structure name
cryoem structure of the human separase-securin complex
Structure deposition date
2021-02-14
Thiol separation (Å)
4
Half-sphere exposure sum ?
85
Minimum pKa ?
8
% buried
100
Peptide accession
Q14674
Residue number A
484
Residue number B
506
Peptide name
Separin

Ligandability

Cysteine 484 of Separin

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 506 of Separin

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 Separin between cysteines 1578 and 1607.

Details

Redox score ?
70
PDB code
7nj0
Structure name
cryoem structure of the human separase-cdk1-cyclin b1-cks1 complex
Structure deposition date
2021-02-14
Thiol separation (Å)
4
Half-sphere exposure sum ?
77
Minimum pKa ?
7
% buried
72
Peptide accession
Q14674
Residue number A
1578
Residue number B
1607
Peptide name
Separin

Ligandability

Cysteine 1578 of Separin

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 1607 of Separin

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 Separin between cysteines 1829 and 1862.

Details

Redox score ?
70
PDB code
7nj1
Structure name
cryoem structure of the human separase-securin complex
Structure deposition date
2021-02-14
Thiol separation (Å)
5
Half-sphere exposure sum ?
58
Minimum pKa ?
10
% buried
26
Peptide accession
Q14674
Residue number A
1829
Residue number B
1862
Peptide name
Separin

Ligandability

Cysteine 1829 of Separin

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 1862 of Separin

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 Separin between cysteines 1146 and 1148.

Details

Redox score ?
67
PDB code
7nj1
Structure name
cryoem structure of the human separase-securin complex
Structure deposition date
2021-02-14
Thiol separation (Å)
6
Half-sphere exposure sum ?
36
Minimum pKa ?
9
% buried
0
Peptide accession
Q14674
Residue number A
1146
Residue number B
1148
Peptide name
Separin

Ligandability

Cysteine 1146 of Separin

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 1148 of Separin

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 Separin between cysteines 1151 and 1160. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
7nj0
Structure name
cryoem structure of the human separase-cdk1-cyclin b1-cks1 complex
Structure deposition date
2021-02-14
Thiol separation (Å)
6
Half-sphere exposure sum ?
75
Minimum pKa ?
11
% buried
63
Peptide accession
Q14674
Residue number A
1151
Residue number B
1160
Peptide name
Separin

Ligandability

Cysteine 1151 of Separin

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 1160 of Separin

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 Separin between cysteines 608 and 647. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
7nj1
Structure name
cryoem structure of the human separase-securin complex
Structure deposition date
2021-02-14
Thiol separation (Å)
8
Half-sphere exposure sum ?
51
Minimum pKa ?
10
% buried
48
Peptide accession
Q14674
Residue number A
608
Residue number B
647
Peptide name
Separin

Ligandability

Cysteine 608 of Separin

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 647 of Separin

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 Separin between cysteines 1148 and 1151. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
7nj1
Structure name
cryoem structure of the human separase-securin complex
Structure deposition date
2021-02-14
Thiol separation (Å)
9
Half-sphere exposure sum ?
49
Minimum pKa ?
9
% buried
8
Peptide accession
Q14674
Residue number A
1148
Residue number B
1151
Peptide name
Separin

Ligandability

Cysteine 1148 of Separin

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 1151 of Separin

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 Separin between cysteines 1027 and 1061. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7nj1
Structure name
cryoem structure of the human separase-securin complex
Structure deposition date
2021-02-14
Thiol separation (Å)
7
Half-sphere exposure sum ?
87
Minimum pKa ?
11
% buried
92
Peptide accession
Q14674
Residue number A
1027
Residue number B
1061
Peptide name
Separin

Ligandability

Cysteine 1027 of Separin

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 1061 of Separin

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 Separin between cysteines 477 and 484. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
7nj1
Structure name
cryoem structure of the human separase-securin complex
Structure deposition date
2021-02-14
Thiol separation (Å)
8
Half-sphere exposure sum ?
82
Minimum pKa ?
11
% buried
76
Peptide accession
Q14674
Residue number A
477
Residue number B
484
Peptide name
Separin

Ligandability

Cysteine 477 of Separin

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 484 of Separin

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 Separin between cysteines 1146 and 1160. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7nj0
Structure name
cryoem structure of the human separase-cdk1-cyclin b1-cks1 complex
Structure deposition date
2021-02-14
Thiol separation (Å)
10
Half-sphere exposure sum ?
63
Minimum pKa ?
8
% buried
48
Peptide accession
Q14674
Residue number A
1146
Residue number B
1160
Peptide name
Separin

Ligandability

Cysteine 1146 of Separin

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 1160 of Separin

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 Separin between cysteines 1148 and 1160. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
7nj0
Structure name
cryoem structure of the human separase-cdk1-cyclin b1-cks1 complex
Structure deposition date
2021-02-14
Thiol separation (Å)
10
Half-sphere exposure sum ?
64
Minimum pKa ?
10
% buried
44
Peptide accession
Q14674
Residue number A
1148
Residue number B
1160
Peptide name
Separin

Ligandability

Cysteine 1148 of Separin

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 1160 of Separin

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 Separin between cysteines 996 and 1011. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
7nj0
Structure name
cryoem structure of the human separase-cdk1-cyclin b1-cks1 complex
Structure deposition date
2021-02-14
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
100
Peptide accession
Q14674
Residue number A
996
Residue number B
1011
Peptide name
Separin

Ligandability

Cysteine 996 of Separin

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 1011 of Separin

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 Separin between cysteines 1011 and 1027. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
7nj0
Structure name
cryoem structure of the human separase-cdk1-cyclin b1-cks1 complex
Structure deposition date
2021-02-14
Thiol separation (Å)
9
Half-sphere exposure sum ?
90
Minimum pKa ?
12
% buried
100
Peptide accession
Q14674
Residue number A
1011
Residue number B
1027
Peptide name
Separin

Ligandability

Cysteine 1011 of Separin

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 1027 of Separin

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Separin between cysteines 1160 and 1191. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
7nj0
Structure name
cryoem structure of the human separase-cdk1-cyclin b1-cks1 complex
Structure deposition date
2021-02-14
Thiol separation (Å)
10
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
85
Peptide accession
Q14674
Residue number A
1160
Residue number B
1191
Peptide name
Separin

Ligandability

Cysteine 1160 of Separin

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 1191 of Separin

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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