ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

NAD-dependent protein deacetylase sirtuin-2

Intermolecular
Cysteine 200 and cysteine 200
Intramolecular
Cysteine 221 and cysteine 224
Cysteine 195 and cysteine 221
Cysteine 200 and cysteine 224
Cysteine 195 and cysteine 224
Cysteine 195 and cysteine 200
Cysteine 200 and cysteine 221
Cysteine 148 and cysteine 328
Cysteine 148 and cysteine 324
Cysteine 324 and cysteine 328
More...
Cysteine 81 and cysteine 164
Cysteine 81 and cysteine 328
Cysteine 148 and cysteine 164
Cysteine 81 and cysteine 148
A redox-regulated disulphide may form between two units of NAD-dependent protein deacetylase sirtuin-2 at cysteines 200 and 200. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
4l3o
Structure name
crystal structure of sirt2 in complex with the macrocyclic peptide s2il5
Structure deposition date
2013-06-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
46
Minimum pKa ?
11
% buried
12
Peptide A name
NAD-dependent protein deacetylase sirtuin-2
Peptide B name
NAD-dependent protein deacetylase sirtuin-2
Peptide A accession
Q8IXJ6
Peptide B accession
Q8IXJ6
Peptide A residue number
200
Peptide B residue number
200

Ligandability

A redox-regulated disulphide may form within NAD-dependent protein deacetylase sirtuin-2 between cysteines 221 and 224.

Details

Redox score ?
93
PDB code
1j8f
Structure name
human sirt2 histone deacetylase
Structure deposition date
2001-05-21
Thiol separation (Å)
3
Half-sphere exposure sum ?
43
Minimum pKa ?
5
% buried
0
Peptide accession
Q8IXJ6
Residue number A
221
Residue number B
224
Peptide name
NAD-dependent protein deacetylase sirtuin-2

Ligandability

Cysteine 221 of NAD-dependent protein deacetylase sirtuin-2

Cysteine 224 of NAD-dependent protein deacetylase sirtuin-2

A redox-regulated disulphide may form within NAD-dependent protein deacetylase sirtuin-2 between cysteines 195 and 221.

Details

Redox score ?
90
PDB code
4rmj
Structure name
human sirt2 in complex with adp ribose and nicotinamide
Structure deposition date
2014-10-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
5
% buried
4
Peptide accession
Q8IXJ6
Residue number A
195
Residue number B
221
Peptide name
NAD-dependent protein deacetylase sirtuin-2

Ligandability

Cysteine 195 of NAD-dependent protein deacetylase sirtuin-2

Cysteine 221 of NAD-dependent protein deacetylase sirtuin-2

A redox-regulated disulphide may form within NAD-dependent protein deacetylase sirtuin-2 between cysteines 200 and 224.

Details

Redox score ?
89
PDB code
1j8f
Structure name
human sirt2 histone deacetylase
Structure deposition date
2001-05-21
Thiol separation (Å)
3
Half-sphere exposure sum ?
36
Minimum pKa ?
8
% buried
0
Peptide accession
Q8IXJ6
Residue number A
200
Residue number B
224
Peptide name
NAD-dependent protein deacetylase sirtuin-2

Ligandability

Cysteine 200 of NAD-dependent protein deacetylase sirtuin-2

Cysteine 224 of NAD-dependent protein deacetylase sirtuin-2

A redox-regulated disulphide may form within NAD-dependent protein deacetylase sirtuin-2 between cysteines 195 and 224.

Details

Redox score ?
88
PDB code
6nr0
Structure name
sirt2(56-356) with covalent intermediate between mechanism-based inhibitor glucose-tm-1beta and 1'-sh adp-ribose
Structure deposition date
2019-01-22
Thiol separation (Å)
3
Half-sphere exposure sum ?
45
Minimum pKa ?
7
% buried
1
Peptide accession
Q8IXJ6
Residue number A
195
Residue number B
224
Peptide name
NAD-dependent protein deacetylase sirtuin-2

Ligandability

Cysteine 195 of NAD-dependent protein deacetylase sirtuin-2

Cysteine 224 of NAD-dependent protein deacetylase sirtuin-2

A redox-regulated disulphide may form within NAD-dependent protein deacetylase sirtuin-2 between cysteines 195 and 200.

Details

Redox score ?
84
PDB code
6qcn
Structure name
human sirt2 in complex with adp-ribose and the inhibitor quercetin
Structure deposition date
2018-12-29
Thiol separation (Å)
3
Half-sphere exposure sum ?
47
Minimum pKa ?
9
% buried
0
Peptide accession
Q8IXJ6
Residue number A
195
Residue number B
200
Peptide name
NAD-dependent protein deacetylase sirtuin-2

Ligandability

Cysteine 195 of NAD-dependent protein deacetylase sirtuin-2

Cysteine 200 of NAD-dependent protein deacetylase sirtuin-2

A redox-regulated disulphide may form within NAD-dependent protein deacetylase sirtuin-2 between cysteines 200 and 221.

Details

Redox score ?
84
PDB code
1j8f
Structure name
human sirt2 histone deacetylase
Structure deposition date
2001-05-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
40
Minimum pKa ?
9
% buried
0
Peptide accession
Q8IXJ6
Residue number A
200
Residue number B
221
Peptide name
NAD-dependent protein deacetylase sirtuin-2

Ligandability

Cysteine 200 of NAD-dependent protein deacetylase sirtuin-2

Cysteine 221 of NAD-dependent protein deacetylase sirtuin-2

A redox-regulated disulphide may form within NAD-dependent protein deacetylase sirtuin-2 between cysteines 148 and 328.

Details

Redox score ?
67
PDB code
4l3o
Structure name
crystal structure of sirt2 in complex with the macrocyclic peptide s2il5
Structure deposition date
2013-06-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
86
Minimum pKa ?
10
% buried
100
Peptide accession
Q8IXJ6
Residue number A
148
Residue number B
328
Peptide name
NAD-dependent protein deacetylase sirtuin-2

Ligandability

Cysteine 148 of NAD-dependent protein deacetylase sirtuin-2

Cysteine 328 of NAD-dependent protein deacetylase sirtuin-2

A redox-regulated disulphide may form within NAD-dependent protein deacetylase sirtuin-2 between cysteines 148 and 324.

Details

Redox score ?
65
PDB code
4l3o
Structure name
crystal structure of sirt2 in complex with the macrocyclic peptide s2il5
Structure deposition date
2013-06-06
Thiol separation (Å)
5
Half-sphere exposure sum ?
83
Minimum pKa ?
8
% buried
91
Peptide accession
Q8IXJ6
Residue number A
148
Residue number B
324
Peptide name
NAD-dependent protein deacetylase sirtuin-2

Ligandability

Cysteine 148 of NAD-dependent protein deacetylase sirtuin-2

Cysteine 324 of NAD-dependent protein deacetylase sirtuin-2

A redox-regulated disulphide may form within NAD-dependent protein deacetylase sirtuin-2 between cysteines 324 and 328. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
4r8m
Structure name
human sirt2 crystal structure in complex with bhjh-tm1
Structure deposition date
2014-09-02
Thiol separation (Å)
7
Half-sphere exposure sum ?
80
Minimum pKa ?
10
% buried
86
Peptide accession
Q8IXJ6
Residue number A
324
Residue number B
328
Peptide name
NAD-dependent protein deacetylase sirtuin-2

Ligandability

Cysteine 324 of NAD-dependent protein deacetylase sirtuin-2

Cysteine 328 of NAD-dependent protein deacetylase sirtuin-2

A redox-regulated disulphide may form within NAD-dependent protein deacetylase sirtuin-2 between cysteines 81 and 164. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
5g4c
Structure name
human sirt2 catalyse short chain fatty acyl lysine
Structure deposition date
2016-05-09
Thiol separation (Å)
6
Half-sphere exposure sum ?
90
Minimum pKa ?
13
% buried
100
Peptide accession
Q8IXJ6
Residue number A
81
Residue number B
164
Peptide name
NAD-dependent protein deacetylase sirtuin-2

Ligandability

Cysteine 81 of NAD-dependent protein deacetylase sirtuin-2

Cysteine 164 of NAD-dependent protein deacetylase sirtuin-2

A redox-regulated disulphide may form within NAD-dependent protein deacetylase sirtuin-2 between cysteines 81 and 328. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
4r8m
Structure name
human sirt2 crystal structure in complex with bhjh-tm1
Structure deposition date
2014-09-02
Thiol separation (Å)
8
Half-sphere exposure sum ?
87
Minimum pKa ?
10
% buried
100
Peptide accession
Q8IXJ6
Residue number A
81
Residue number B
328
Peptide name
NAD-dependent protein deacetylase sirtuin-2

Ligandability

Cysteine 81 of NAD-dependent protein deacetylase sirtuin-2

Cysteine 328 of NAD-dependent protein deacetylase sirtuin-2

A redox-regulated disulphide may form within NAD-dependent protein deacetylase sirtuin-2 between cysteines 148 and 164. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
25
PDB code
4l3o
Structure name
crystal structure of sirt2 in complex with the macrocyclic peptide s2il5
Structure deposition date
2013-06-06
Thiol separation (Å)
9
Half-sphere exposure sum ?
89
Minimum pKa ?
15
% buried
100
Peptide accession
Q8IXJ6
Residue number A
148
Residue number B
164
Peptide name
NAD-dependent protein deacetylase sirtuin-2

Ligandability

Cysteine 148 of NAD-dependent protein deacetylase sirtuin-2

Cysteine 164 of NAD-dependent protein deacetylase sirtuin-2

A redox-regulated disulphide may form within NAD-dependent protein deacetylase sirtuin-2 between cysteines 81 and 148. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
24
PDB code
4r8m
Structure name
human sirt2 crystal structure in complex with bhjh-tm1
Structure deposition date
2014-09-02
Thiol separation (Å)
10
Half-sphere exposure sum ?
91
Minimum pKa ?
12
% buried
98
Peptide accession
Q8IXJ6
Residue number A
81
Residue number B
148
Peptide name
NAD-dependent protein deacetylase sirtuin-2

Ligandability

Cysteine 81 of NAD-dependent protein deacetylase sirtuin-2

Cysteine 148 of NAD-dependent protein deacetylase sirtuin-2

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