cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Intermolecular
Cysteine 414 and cysteine 414
Cysteine 414 and cysteine 408
Intramolecular
Cysteine 526 and cysteine 666
Cysteine 488 and cysteine 492
Cysteine 526 and cysteine 663
Cysteine 550 and cysteine 663
Cysteine 536 and cysteine 560
Cysteine 526 and cysteine 727
Cysteine 441 and cysteine 499
Cysteine 550 and cysteine 666
More...Cysteine 673 and cysteine 676
Cysteine 727 and cysteine 745
Cysteine 560 and cysteine 562
Cysteine 663 and cysteine 727
2zmf A 414 B 414
A redox-regulated disulphide may form between two units of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A at cysteines 414 and 414. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
47
PDB code
2zmf
Structure name
crystal structure of the c-terminal gaf domain of human phosphodiesterase 10a
Structure deposition date
2008-04-17
Thiol separation (Å)
7
Half-sphere exposure sum ?
65
Minimum pKa ?
11
% buried
78
Peptide A name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Peptide B name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Peptide A accession
Q9Y233
Peptide B accession
Q9Y233
Peptide A residue number
414
Peptide B residue number
414
Ligandability
2zmf A 414 B 408
A redox-regulated disulphide may form between two units of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A at cysteines 414 and 408. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
31
PDB code
2zmf
Structure name
crystal structure of the c-terminal gaf domain of human phosphodiesterase 10a
Structure deposition date
2008-04-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
79
Minimum pKa ?
12
% buried
100
Peptide A name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Peptide B name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Peptide A accession
Q9Y233
Peptide B accession
Q9Y233
Peptide A residue number
414
Peptide B residue number
408
Ligandability
Cysteine 414 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cysteine 408 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
5shd D 536 D 676
A redox-regulated disulphide may form within cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A between cysteines 526 and 666 (536 and 676 respectively in this structure).
Details
Redox score ?
81
PDB code
5shd
Structure name
crystal structure of human phosphodiesterase 10 in complex with 6- cyclopropyl-n-[4-(methylcarbamoyl)pyridin-3-yl]-3-(pyrimidin-5- ylamino)pyridine-2-carboxamide
Structure deposition date
2022-02-01
Thiol separation (Å)
4
Half-sphere exposure sum ?
86
Minimum pKa ?
4
% buried
100
Peptide accession
Q9Y233
Residue number A
526
Residue number B
666
Peptide name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligandability
Cysteine 526 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cysteine 666 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
5sgi A 498 A 502
A redox-regulated disulphide may form within cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A between cysteines 488 and 492 (498 and 502 respectively in this structure).
Details
Redox score ?
79
PDB code
5sgi
Structure name
crystal structure of human phosphodiesterase 10 in complex with 6-(3- methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-9h-purine
Structure deposition date
2022-02-01
Thiol separation (Å)
3
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
36
Peptide accession
Q9Y233
Residue number A
488
Residue number B
492
Peptide name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligandability
Cysteine 488 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cysteine 492 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
5si2 B 536 B 673
A redox-regulated disulphide may form within cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A between cysteines 526 and 663 (536 and 673 respectively in this structure).
Details
Redox score ?
77
PDB code
5si2
Structure name
crystal structure of human phosphodiesterase 10 in complex with 6- cyclopropyl-n-(1-pyridin-2-ylpyrrolidin-3-yl)-3-(pyrimidin-5- ylamino)pyridine-2-carboxamide
Structure deposition date
2022-02-01
Thiol separation (Å)
4
Half-sphere exposure sum ?
87
Minimum pKa ?
5
% buried
100
Peptide accession
Q9Y233
Residue number A
526
Residue number B
663
Peptide name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligandability
Cysteine 526 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cysteine 663 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
5k9r B 550 B 663
A redox-regulated disulphide may form within cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A between cysteines 550 and 663.
Details
Redox score ?
60
PDB code
5k9r
Structure name
pde10a with imidazopyrazine inhibitor
Structure deposition date
2016-06-01
Thiol separation (Å)
4
Half-sphere exposure sum ?
95
Minimum pKa ?
10
% buried
100
Peptide accession
Q9Y233
Residue number A
550
Residue number B
663
Peptide name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligandability
Cysteine 550 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cysteine 663 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
2ovv A 526 A 550
A redox-regulated disulphide may form within cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A between cysteines 536 and 560 (526 and 550 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
50
PDB code
2ovv
Structure name
crystal structure of the catalytic domain of rat phosphodiesterase 10a
Structure deposition date
2007-02-15
Thiol separation (Å)
8
Half-sphere exposure sum ?
92
Minimum pKa ?
3
% buried
100
Peptide accession
Q9QYJ6
Residue number A
536
Residue number B
560
Peptide name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligandability
Cysteine 536 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cysteine 560 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
5skv D 536 D 737
A redox-regulated disulphide may form within cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A between cysteines 526 and 727 (536 and 737 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
44
PDB code
5skv
Structure name
crystal structure of human phosphodiesterase 10 in complex with 6- cyclopropyl-n-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1- methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
Structure deposition date
2022-02-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
87
Minimum pKa ?
5
% buried
100
Peptide accession
Q9Y233
Residue number A
526
Residue number B
727
Peptide name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligandability
Cysteine 526 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cysteine 727 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
5uwf D 451 D 509
A redox-regulated disulphide may form within cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A between cysteines 441 and 499 (451 and 509 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
43
PDB code
5uwf
Structure name
crystal structure of human pde10a in complex with inhibitor 16d
Structure deposition date
2017-02-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
51
Peptide accession
Q9Y233
Residue number A
441
Residue number B
499
Peptide name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligandability
Cysteine 441 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cysteine 499 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
4ael B 560 B 676
A redox-regulated disulphide may form within cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A between cysteines 550 and 666 (560 and 676 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
39
PDB code
4ael
Structure name
pde10a in complex with the inhibitor az5
Structure deposition date
2012-01-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
90
Minimum pKa ?
9
% buried
100
Peptide accession
Q9Y233
Residue number A
550
Residue number B
666
Peptide name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligandability
Cysteine 550 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cysteine 666 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
3hqy A 663 A 666
A redox-regulated disulphide may form within cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A between cysteines 673 and 676 (663 and 666 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
37
PDB code
3hqy
Structure name
discovery of novel inhibitors of pde10a
Structure deposition date
2009-06-08
Thiol separation (Å)
7
Half-sphere exposure sum ?
88
Minimum pKa ?
16
% buried
100
Peptide accession
Q9QYJ6
Residue number A
673
Residue number B
676
Peptide name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligandability
Cysteine 673 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cysteine 676 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
6kze A 737 A 755
A redox-regulated disulphide may form within cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A between cysteines 727 and 745 (737 and 755 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
29
PDB code
6kze
Structure name
the crystal structue of pde10a complexed with 4d
Structure deposition date
2019-09-24
Thiol separation (Å)
9
Half-sphere exposure sum ?
85
Minimum pKa ?
13
% buried
100
Peptide accession
Q9Y233
Residue number A
727
Residue number B
745
Peptide name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligandability
Cysteine 727 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cysteine 745 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
3qpp A 550 A 552
A redox-regulated disulphide may form within cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A between cysteines 560 and 562 (550 and 552 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
29
PDB code
3qpp
Structure name
structure of pde10-inhibitor complex
Structure deposition date
2011-02-14
Thiol separation (Å)
10
Half-sphere exposure sum ?
99
Minimum pKa ?
9
% buried
100
Peptide accession
Q9QYJ6
Residue number A
560
Residue number B
562
Peptide name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligandability
Cysteine 560 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cysteine 562 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
4fcd B 663 B 727
A redox-regulated disulphide may form within cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A between cysteines 663 and 727. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
28
PDB code
4fcd
Structure name
potent and selective phosphodiesterase 10a inhibitors
Structure deposition date
2012-05-24
Thiol separation (Å)
9
Half-sphere exposure sum ?
90
Minimum pKa ?
13
% buried
100
Peptide accession
Q9Y233
Residue number A
663
Residue number B
727
Peptide name
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligandability
Cysteine 663 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cysteine 727 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
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