ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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NAD-dependent protein deacylase sirtuin-6

Intramolecular
Cysteine 141 and cysteine 144
Cysteine 144 and cysteine 166
Cysteine 141 and cysteine 177
Cysteine 144 and cysteine 177
Cysteine 141 and cysteine 166
Cysteine 166 and cysteine 177
A redox-regulated disulphide may form within NAD-dependent protein deacylase sirtuin-6 between cysteines 141 and 144.

Details

Redox score ?
90
PDB code
6qch
Structure name
human sirt6 in complex with adp-ribose and the activator cyanidin
Structure deposition date
2018-12-28
Thiol separation (Å)
3
Half-sphere exposure sum ?
47
Minimum pKa ?
5
% buried
0
Peptide accession
Q8N6T7
Residue number A
141
Residue number B
144
Peptide name
NAD-dependent protein deacylase sirtuin-6

Ligandability

Cysteine 141 of NAD-dependent protein deacylase sirtuin-6

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 144 of NAD-dependent protein deacylase sirtuin-6

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 NAD-dependent protein deacylase sirtuin-6 between cysteines 144 and 166 (142 and 164 respectively in this structure).

Details

Redox score ?
89
PDB code
7cl1
Structure name
human sirt6 in complex with allosteric activator mdl-801 (3
Structure deposition date
2020-07-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
48
Minimum pKa ?
6
% buried
0
Peptide accession
Q8N6T7
Residue number A
144
Residue number B
166
Peptide name
NAD-dependent protein deacylase sirtuin-6

Ligandability

Cysteine 144 of NAD-dependent protein deacylase sirtuin-6

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 166 of NAD-dependent protein deacylase sirtuin-6

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 NAD-dependent protein deacylase sirtuin-6 between cysteines 141 and 177 (139 and 175 respectively in this structure).

Details

Redox score ?
77
PDB code
3pki
Structure name
human sirt6 crystal structure in complex with adp ribose
Structure deposition date
2010-11-11
Thiol separation (Å)
4
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8N6T7
Residue number A
141
Residue number B
177
Peptide name
NAD-dependent protein deacylase sirtuin-6

Ligandability

Cysteine 141 of NAD-dependent protein deacylase sirtuin-6

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 177 of NAD-dependent protein deacylase sirtuin-6

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 NAD-dependent protein deacylase sirtuin-6 between cysteines 144 and 177 (142 and 175 respectively in this structure).

Details

Redox score ?
75
PDB code
3pki
Structure name
human sirt6 crystal structure in complex with adp ribose
Structure deposition date
2010-11-11
Thiol separation (Å)
4
Half-sphere exposure sum ?
42
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8N6T7
Residue number A
144
Residue number B
177
Peptide name
NAD-dependent protein deacylase sirtuin-6

Ligandability

Cysteine 144 of NAD-dependent protein deacylase sirtuin-6

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 177 of NAD-dependent protein deacylase sirtuin-6

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 NAD-dependent protein deacylase sirtuin-6 between cysteines 141 and 166 (139 and 164 respectively in this structure).

Details

Redox score ?
74
PDB code
3pki
Structure name
human sirt6 crystal structure in complex with adp ribose
Structure deposition date
2010-11-11
Thiol separation (Å)
4
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8N6T7
Residue number A
141
Residue number B
166
Peptide name
NAD-dependent protein deacylase sirtuin-6

Ligandability

Cysteine 141 of NAD-dependent protein deacylase sirtuin-6

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 166 of NAD-dependent protein deacylase sirtuin-6

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 NAD-dependent protein deacylase sirtuin-6 between cysteines 166 and 177 (164 and 175 respectively in this structure).

Details

Redox score ?
74
PDB code
3pki
Structure name
human sirt6 crystal structure in complex with adp ribose
Structure deposition date
2010-11-11
Thiol separation (Å)
4
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8N6T7
Residue number A
166
Residue number B
177
Peptide name
NAD-dependent protein deacylase sirtuin-6

Ligandability

Cysteine 166 of NAD-dependent protein deacylase sirtuin-6

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 177 of NAD-dependent protein deacylase sirtuin-6

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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