Poly [ADP-ribose] polymerase tankyrase-1
Intermolecular
Cysteine 1242 and cysteine 1242
Cysteine 1245 and cysteine 1245
Intramolecular
Cysteine 1234 and cysteine 1242
Cysteine 1234 and cysteine 1245
Cysteine 1242 and cysteine 1245
Cysteine 823 and cysteine 830
Cysteine 410 and cysteine 451
Cysteine 257 and cysteine 298
4i9i C 1242 D 1242
A redox-regulated disulphide may form between two units of Poly [ADP-ribose] polymerase tankyrase-1 at cysteines 1242 and 1242. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
55
PDB code
4i9i
Structure name
crystal structure of tankyrase 1 with compound 4
Structure deposition date
2012-12-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
63
Minimum pKa ?
3
% buried
nan
Peptide A name
Poly [ADP-ribose] polymerase tankyrase-1
Peptide B name
Poly [ADP-ribose] polymerase tankyrase-1
Peptide A accession
O95271
Peptide B accession
O95271
Peptide A residue number
1242
Peptide B residue number
1242
Ligandability
7kkq C 1245 D 1245
A redox-regulated disulphide may form between two units of Poly [ADP-ribose] polymerase tankyrase-1 at cysteines 1245 and 1245. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
45
PDB code
7kkq
Structure name
structure of the catalytic domain of tankyrase 1 in complex with veliparib
Structure deposition date
2020-10-27
Thiol separation (Å)
8
Half-sphere exposure sum ?
59
Minimum pKa ?
12
% buried
45
Peptide A name
Poly [ADP-ribose] polymerase tankyrase-1
Peptide B name
Poly [ADP-ribose] polymerase tankyrase-1
Peptide A accession
Q59FX0
Peptide B accession
Q59FX0
Peptide A residue number
1245
Peptide B residue number
1245
Ligandability
7kkn C 1234 C 1242
A redox-regulated disulphide may form within Poly [ADP-ribose] polymerase tankyrase-1 between cysteines 1234 and 1242.
Details
Redox score ?
86
PDB code
7kkn
Structure name
structure of the catalytic domain of tankyrase 1 in complex with talazoparib
Structure deposition date
2020-10-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
5
% buried
6
Peptide accession
Q59FX0
Residue number A
1234
Residue number B
1242
Peptide name
Poly [ADP-ribose] polymerase tankyrase-1
Ligandability
Cysteine 1234 of Poly [ADP-ribose] polymerase tankyrase-1
Cysteine 1242 of Poly [ADP-ribose] polymerase tankyrase-1
4i9i A 1234 A 1245
A redox-regulated disulphide may form within Poly [ADP-ribose] polymerase tankyrase-1 between cysteines 1234 and 1245.
Details
Redox score ?
85
PDB code
4i9i
Structure name
crystal structure of tankyrase 1 with compound 4
Structure deposition date
2012-12-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
6
% buried
32
Peptide accession
O95271
Residue number A
1234
Residue number B
1245
Peptide name
Poly [ADP-ribose] polymerase tankyrase-1
Ligandability
Cysteine 1234 of Poly [ADP-ribose] polymerase tankyrase-1
Cysteine 1245 of Poly [ADP-ribose] polymerase tankyrase-1
4uw1 G 1242 G 1245
A redox-regulated disulphide may form within Poly [ADP-ribose] polymerase tankyrase-1 between cysteines 1242 and 1245.
Details
Redox score ?
83
PDB code
4uw1
Structure name
x-ray crystal structure of human tnks in complex with a small molecule inhibitor
Structure deposition date
2014-08-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
8
% buried
4
Peptide accession
O95271
Residue number A
1242
Residue number B
1245
Peptide name
Poly [ADP-ribose] polymerase tankyrase-1
Ligandability
Cysteine 1242 of Poly [ADP-ribose] polymerase tankyrase-1
Cysteine 1245 of Poly [ADP-ribose] polymerase tankyrase-1
5gp7 A 823 A 830
A redox-regulated disulphide may form within Poly [ADP-ribose] polymerase tankyrase-1 between cysteines 823 and 830. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
46
PDB code
5gp7
Structure name
structural basis for the binding between tankyrase-1 and usp25
Structure deposition date
2016-08-01
Thiol separation (Å)
8
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
50
Peptide accession
O95271
Residue number A
823
Residue number B
830
Peptide name
Poly [ADP-ribose] polymerase tankyrase-1
Ligandability
Cysteine 823 of Poly [ADP-ribose] polymerase tankyrase-1
Cysteine 830 of Poly [ADP-ribose] polymerase tankyrase-1
5jhq B 410 B 451
A redox-regulated disulphide may form within Poly [ADP-ribose] polymerase tankyrase-1 between cysteines 410 and 451. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
35
PDB code
5jhq
Structure name
arcs 1-3 of human tankyrase-1 bound to a peptide derived from irap
Structure deposition date
2016-04-21
Thiol separation (Å)
8
Half-sphere exposure sum ?
99
Minimum pKa ?
13
% buried
100
Peptide accession
O95271
Residue number A
410
Residue number B
451
Peptide name
Poly [ADP-ribose] polymerase tankyrase-1
Ligandability
Cysteine 410 of Poly [ADP-ribose] polymerase tankyrase-1
Cysteine 451 of Poly [ADP-ribose] polymerase tankyrase-1
5jhq D 257 D 298
A redox-regulated disulphide may form within Poly [ADP-ribose] polymerase tankyrase-1 between cysteines 257 and 298. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
33
PDB code
5jhq
Structure name
arcs 1-3 of human tankyrase-1 bound to a peptide derived from irap
Structure deposition date
2016-04-21
Thiol separation (Å)
8
Half-sphere exposure sum ?
103
Minimum pKa ?
12
% buried
92
Peptide accession
O95271
Residue number A
257
Residue number B
298
Peptide name
Poly [ADP-ribose] polymerase tankyrase-1
Ligandability
Cysteine 257 of Poly [ADP-ribose] polymerase tankyrase-1
Cysteine 298 of Poly [ADP-ribose] polymerase tankyrase-1
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