ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Histone-lysine N-methyltransferase NSD2

Intramolecular
Cysteine 1016 and cysteine 1018
Cysteine 1193 and cysteine 1198
Cysteine 1016 and cysteine 1032
Cysteine 1191 and cysteine 1193
Cysteine 1016 and cysteine 1046 L
Cysteine 1016 and cysteine 1026
Cysteine 1144 and cysteine 1193
Cysteine 1191 and cysteine 1198
Cysteine 1018 and cysteine 1026
Cysteine 1046 and cysteine 1052 L
More...
Cysteine 1144 and cysteine 1198
Cysteine 1018 and cysteine 1032
Cysteine 1026 and cysteine 1032
Cysteine 1016 and cysteine 1041 L
Cysteine 1026 and cysteine 1046 L
Cysteine 1026 and cysteine 1052
Cysteine 1144 and cysteine 1191
Cysteine 1018 and cysteine 1046 L
Cysteine 1041 and cysteine 1046 L
Cysteine 1016 and cysteine 1052
Cysteine 1032 and cysteine 1046 L
Cysteine 1026 and cysteine 1041 L
Cysteine 1018 and cysteine 1041 L
Cysteine 1018 and cysteine 1052
Cysteine 1032 and cysteine 1041 L
Cysteine 1041 and cysteine 1052 L
Cysteine 1032 and cysteine 1052
Cysteine 1148 and cysteine 1167
Cysteine 1052 and cysteine 1056 L
Cysteine 1041 and cysteine 1056 L
A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1016 and 1018.

Details

Redox score ?
91
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
nan
Minimum pKa ?
5
% buried
11
Peptide accession
O96028
Residue number A
1016
Residue number B
1018
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1016 of Histone-lysine N-methyltransferase NSD2

Cysteine 1018 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1193 and 1198.

Details

Redox score ?
91
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
59
Minimum pKa ?
3
% buried
36
Peptide accession
O96028
Residue number A
1193
Residue number B
1198
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1193 of Histone-lysine N-methyltransferase NSD2

Cysteine 1198 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1016 and 1032.

Details

Redox score ?
89
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
57
Minimum pKa ?
5
% buried
27
Peptide accession
O96028
Residue number A
1016
Residue number B
1032
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1016 of Histone-lysine N-methyltransferase NSD2

Cysteine 1032 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1191 and 1193.

Details

Redox score ?
88
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
66
Minimum pKa ?
3
% buried
49
Peptide accession
O96028
Residue number A
1191
Residue number B
1193
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1191 of Histone-lysine N-methyltransferase NSD2

Cysteine 1193 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1016 and 1046.

Details

Redox score ?
88
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
5
% buried
22
Peptide accession
O96028
Residue number A
1016
Residue number B
1046
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1016 of Histone-lysine N-methyltransferase NSD2

Cysteine 1046 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1016 and 1026.

Details

Redox score ?
88
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
5
% buried
22
Peptide accession
O96028
Residue number A
1016
Residue number B
1026
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1016 of Histone-lysine N-methyltransferase NSD2

Cysteine 1026 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1144 and 1193.

Details

Redox score ?
87
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
64
Minimum pKa ?
3
% buried
36
Peptide accession
O96028
Residue number A
1144
Residue number B
1193
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1144 of Histone-lysine N-methyltransferase NSD2

Cysteine 1193 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1191 and 1198.

Details

Redox score ?
85
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
45
Minimum pKa ?
9
% buried
15
Peptide accession
O96028
Residue number A
1191
Residue number B
1198
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1191 of Histone-lysine N-methyltransferase NSD2

Cysteine 1198 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1018 and 1026.

Details

Redox score ?
84
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
10
Peptide accession
O96028
Residue number A
1018
Residue number B
1026
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1018 of Histone-lysine N-methyltransferase NSD2

Cysteine 1026 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1046 and 1052.

Details

Redox score ?
84
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
59
Minimum pKa ?
7
% buried
29
Peptide accession
O96028
Residue number A
1046
Residue number B
1052
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1046 of Histone-lysine N-methyltransferase NSD2

Cysteine 1052 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1144 and 1198.

Details

Redox score ?
82
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
8
% buried
26
Peptide accession
O96028
Residue number A
1144
Residue number B
1198
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1144 of Histone-lysine N-methyltransferase NSD2

Cysteine 1198 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1018 and 1032.

Details

Redox score ?
82
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
8
% buried
30
Peptide accession
O96028
Residue number A
1018
Residue number B
1032
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1018 of Histone-lysine N-methyltransferase NSD2

Cysteine 1032 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1026 and 1032.

Details

Redox score ?
82
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
9
% buried
26
Peptide accession
O96028
Residue number A
1026
Residue number B
1032
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1026 of Histone-lysine N-methyltransferase NSD2

Cysteine 1032 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1016 and 1041.

Details

Redox score ?
80
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
74
Minimum pKa ?
5
% buried
36
Peptide accession
O96028
Residue number A
1016
Residue number B
1041
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1016 of Histone-lysine N-methyltransferase NSD2

Cysteine 1041 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1026 and 1046.

Details

Redox score ?
79
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
3
Half-sphere exposure sum ?
71
Minimum pKa ?
9
% buried
36
Peptide accession
O96028
Residue number A
1026
Residue number B
1046
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1026 of Histone-lysine N-methyltransferase NSD2

Cysteine 1046 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1026 and 1052.

Details

Redox score ?
78
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
28
Peptide accession
O96028
Residue number A
1026
Residue number B
1052
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1026 of Histone-lysine N-methyltransferase NSD2

Cysteine 1052 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1144 and 1191.

Details

Redox score ?
78
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
8
% buried
40
Peptide accession
O96028
Residue number A
1144
Residue number B
1191
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1144 of Histone-lysine N-methyltransferase NSD2

Cysteine 1191 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1018 and 1046.

Details

Redox score ?
74
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
6
Half-sphere exposure sum ?
nan
Minimum pKa ?
7
% buried
12
Peptide accession
O96028
Residue number A
1018
Residue number B
1046
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1018 of Histone-lysine N-methyltransferase NSD2

Cysteine 1046 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1041 and 1046.

Details

Redox score ?
73
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
9
% buried
nan
Peptide accession
O96028
Residue number A
1041
Residue number B
1046
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1041 of Histone-lysine N-methyltransferase NSD2

Cysteine 1046 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1016 and 1052.

Details

Redox score ?
73
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
6
Half-sphere exposure sum ?
59
Minimum pKa ?
5
% buried
28
Peptide accession
O96028
Residue number A
1016
Residue number B
1052
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1016 of Histone-lysine N-methyltransferase NSD2

Cysteine 1052 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1032 and 1046.

Details

Redox score ?
71
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
6
Half-sphere exposure sum ?
57
Minimum pKa ?
7
% buried
28
Peptide accession
O96028
Residue number A
1032
Residue number B
1046
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1032 of Histone-lysine N-methyltransferase NSD2

Cysteine 1046 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1026 and 1041.

Details

Redox score ?
66
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
83
Minimum pKa ?
12
% buried
nan
Peptide accession
O96028
Residue number A
1026
Residue number B
1041
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1026 of Histone-lysine N-methyltransferase NSD2

Cysteine 1041 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1018 and 1041.

Details

Redox score ?
63
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
nan
Minimum pKa ?
8
% buried
26
Peptide accession
O96028
Residue number A
1018
Residue number B
1041
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1018 of Histone-lysine N-methyltransferase NSD2

Cysteine 1041 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1018 and 1052.

Details

Redox score ?
62
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
18
Peptide accession
O96028
Residue number A
1018
Residue number B
1052
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1018 of Histone-lysine N-methyltransferase NSD2

Cysteine 1052 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1032 and 1041.

Details

Redox score ?
61
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
15
% buried
nan
Peptide accession
O96028
Residue number A
1032
Residue number B
1041
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1032 of Histone-lysine N-methyltransferase NSD2

Cysteine 1041 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1041 and 1052.

Details

Redox score ?
60
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
79
Minimum pKa ?
16
% buried
nan
Peptide accession
O96028
Residue number A
1041
Residue number B
1052
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1041 of Histone-lysine N-methyltransferase NSD2

Cysteine 1052 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1032 and 1052. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
6
Half-sphere exposure sum ?
67
Minimum pKa ?
15
% buried
48
Peptide accession
O96028
Residue number A
1032
Residue number B
1052
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1032 of Histone-lysine N-methyltransferase NSD2

Cysteine 1052 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1148 and 1167. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
50
Peptide accession
O96028
Residue number A
1148
Residue number B
1167
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1148 of Histone-lysine N-methyltransferase NSD2

Cysteine 1167 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1052 and 1056. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
52
Peptide accession
O96028
Residue number A
1052
Residue number B
1056
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1052 of Histone-lysine N-methyltransferase NSD2

Cysteine 1056 of Histone-lysine N-methyltransferase NSD2

A redox-regulated disulphide may form within Histone-lysine N-methyltransferase NSD2 between cysteines 1041 and 1056. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
5lsu
Structure name
structure of the epigenetic oncogene mmset and inhibition by n-alkyl sinefungin derivatives
Structure deposition date
2016-09-05
Thiol separation (Å)
10
Half-sphere exposure sum ?
78
Minimum pKa ?
10
% buried
nan
Peptide accession
O96028
Residue number A
1041
Residue number B
1056
Peptide name
Histone-lysine N-methyltransferase NSD2

Ligandability

Cysteine 1041 of Histone-lysine N-methyltransferase NSD2

Cysteine 1056 of Histone-lysine N-methyltransferase NSD2

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