ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Poly [ADP-ribose] polymerase tankyrase-2

Intramolecular
Cysteine 1081 and cysteine 1089
Cysteine 1081 and cysteine 1092
Cysteine 1089 and cysteine 1092
Cysteine 512 and cysteine 519
Cysteine 252 and cysteine 608
A redox-regulated disulphide may form within Poly [ADP-ribose] polymerase tankyrase-2 between cysteines 1081 and 1089.

Details

Redox score ?
87
PDB code
4tjw
Structure name
crystal structure of human tankyrase 2 in complex with pj-34
Structure deposition date
2014-05-25
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
5
% buried
4
Peptide accession
Q9H2K2
Residue number A
1081
Residue number B
1089
Peptide name
Poly [ADP-ribose] polymerase tankyrase-2

Ligandability

Cysteine 1081 of Poly [ADP-ribose] polymerase tankyrase-2

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 1089 of Poly [ADP-ribose] polymerase tankyrase-2

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 Poly [ADP-ribose] polymerase tankyrase-2 between cysteines 1081 and 1092.

Details

Redox score ?
86
PDB code
4tk5
Structure name
crystal structure of human tankyrase 2 in complex with eb47
Structure deposition date
2014-05-25
Thiol separation (Å)
4
Half-sphere exposure sum ?
53
Minimum pKa ?
5
% buried
2
Peptide accession
Q9H2K2
Residue number A
1081
Residue number B
1092
Peptide name
Poly [ADP-ribose] polymerase tankyrase-2

Ligandability

Cysteine 1081 of Poly [ADP-ribose] polymerase tankyrase-2

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 1092 of Poly [ADP-ribose] polymerase tankyrase-2

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 Poly [ADP-ribose] polymerase tankyrase-2 between cysteines 1089 and 1092.

Details

Redox score ?
77
PDB code
4avu
Structure name
crystal structure of human tankyrase 2 in complex with 6(5h)- phenanthridinone
Structure deposition date
2012-05-29
Thiol separation (Å)
4
Half-sphere exposure sum ?
65
Minimum pKa ?
9
% buried
41
Peptide accession
Q9H2K2
Residue number A
1089
Residue number B
1092
Peptide name
Poly [ADP-ribose] polymerase tankyrase-2

Ligandability

Cysteine 1089 of Poly [ADP-ribose] polymerase tankyrase-2

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 1092 of Poly [ADP-ribose] polymerase tankyrase-2

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 Poly [ADP-ribose] polymerase tankyrase-2 between cysteines 512 and 519. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
3tws
Structure name
crystal structure of arc4 from human tankyrase 2 in complex with peptide from human terf1 (chimeric peptide)
Structure deposition date
2011-09-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
11
% buried
68
Peptide accession
Q9H2K2
Residue number A
512
Residue number B
519
Peptide name
Poly [ADP-ribose] polymerase tankyrase-2

Ligandability

Cysteine 512 of Poly [ADP-ribose] polymerase tankyrase-2

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 519 of Poly [ADP-ribose] polymerase tankyrase-2

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 Poly [ADP-ribose] polymerase tankyrase-2 between cysteines 252 and 608 (567 and 608 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
3twx
Structure name
crystal structure of arc4 from human tankyrase 2 in complex with peptide from human fnbp1 (chimeric peptide)
Structure deposition date
2011-09-22
Thiol separation (Å)
8
Half-sphere exposure sum ?
97
Minimum pKa ?
13
% buried
96
Peptide accession
Q9H2K2
Residue number A
252
Residue number B
608
Peptide name
Poly [ADP-ribose] polymerase tankyrase-2

Ligandability

Cysteine 252 of Poly [ADP-ribose] polymerase tankyrase-2

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 608 of Poly [ADP-ribose] polymerase tankyrase-2

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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