UniProt Q9QYJ6
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Q9QYJ6)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (UniProt Q9QYJ6), EC 3.1.4.17, 3.1.4.35: 24 experimental structures and 1 predicted model on GenesisL1, 15 ligands bound, 43 pockets. Binding sites, druggability and…
- UniProt
- Q9QYJ6
- Protein
- cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
- EC
- 3.1.4.17, 3.1.4.35
- Experimental structures
- 24
- Predicted models
- 1
- Ligands
- 15
- Pockets
- 43 · 13 records with a druggable one
Structures
25 records of Q9QYJ6 in the MolNFT archive: 24 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2O8H | Crystal structure of the catalytic domain of rat phosphodiesterase 10A | x-ray diffraction | A | ZN, MG, 227 | 3 (best 0.73) |
| 2O8H | Crystal structure of the catalytic domain of rat phosphodiesterase 10A | x-ray diffraction | A | — | — |
| 2OVV | Crystal structure of the catalytic domain of rat phosphodiesterase 10A | x-ray diffraction | A | SO4, ZN, MG, PFH | 3 (best 0.72) |
| 2OVV | Crystal structure of the catalytic domain of rat phosphodiesterase 10A | x-ray diffraction | A | — | — |
| 2OVY | Crystal structure of the catalytic domain of rat phosphodiesterase 10A | x-ray diffraction | A | SO4, ZN, MG, PFJ | 3 (best 0.73) |
| 2OVY | Crystal structure of the catalytic domain of rat phosphodiesterase 10A | x-ray diffraction | A | — | — |
| 3HQW | Discovery of novel inhibitors of PDE10A | x-ray diffraction | A | ZN, MG, PF4 | 3 (best 0.73) |
| 3HQW | Discovery of novel inhibitors of PDE10A | x-ray diffraction | A | — | — |
| 3HQY | Discovery of novel inhibitors of PDE10A | x-ray diffraction | A | SO4, ZN, MG, PF6 | 3 (best 0.73) |
| 3HQY | Discovery of novel inhibitors of PDE10A | x-ray diffraction | A | — | — |
| 3HQZ | Discovery of novel inhibitors of PDE10A | x-ray diffraction | A | SO4, ZN, MG, PF8 | 3 (best 0.73) |
| 3HQZ | Discovery of novel inhibitors of PDE10A | x-ray diffraction | A | — | — |
| 3HR1 | Discovery of novel inhibitors of PDE10A | x-ray diffraction | A | SO4, PF9, ZN, MG | 3 (best 0.74) |
| 3HR1 | Discovery of novel inhibitors of PDE10A | x-ray diffraction | A | — | — |
| 3LXG | Crystal structure of rat phosphodiesterase 10A in complex with ligand WEB-3 | x-ray diffraction | A | Z73, ZN, MG | 3 (best 0.71) |
| 3LXG | Crystal structure of rat phosphodiesterase 10A in complex with ligand web-3 | x-ray diffraction | A | — | — |
| 3QPN | Structure of PDE10-inhibitor complex | x-ray diffraction | A | SO4, ZN, MG, PFK | 3 (best 0.73) |
| 3QPN | Structure of PDE10-inhibitor complex | x-ray diffraction | A | — | — |
| 3QPO | Structure of PDE10-inhibitor complex | x-ray diffraction | A | SO4, ZN, MG, PFR | 3 (best 0.73) |
| 3QPO | Structure of PDE10-inhibitor complex | x-ray diffraction | A | — | — |
| 3QPP | Structure of PDE10-inhibitor complex | x-ray diffraction | A | ZN, MG, SO4, PFW | 3 (best 0.72) |
| 3QPP | Structure of PDE10-inhibitor complex | x-ray diffraction | A | — | — |
| 6K9U | Discovery of Pyrazolo[1,5-a]pyrimidine Derivative as a Highly Selective PDE10A Inhibitor | x-ray diffraction | A | ZN, MG, D4L, SO4 | 3 (best 0.74) |
| 6K9U | Discovery of PYRAZOLO[1,5-A]PYRIMIDINE derivative as a highly selective PDE10A inhibitor | x-ray diffraction | A | ZN, MG, D4L, SO4 | — |
| Q9QYJ6 | AlphaFold monomer V2.0 prediction for camp and camp-inhibited cgmp 3',5'-cyclic phosphodiesterase… | predicted | A | — | 7 (best 0.70) |
Ligands
- MG · Magnesium ion · in 13 records
- ZN · Zinc ion · in 13 records
- SO4 · Sulfate ion · in 10 records
- D4L · 2-(3,7-dimethylquinoxalin-2-yl)-~{N}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine · in 2 records
- 227 · 6,7-dimethoxy-4-{8-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydroisoquinolin-2(1H)-yl}quinazoline · in 1 record
- PF4 · 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole · in 1 record
- PF6 · 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline · in 1 record
- PF8 · 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline · in 1 record
- PF9 · 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline · in 1 record
- PFH · 6,7-dimethoxy-4-[(3R)-3-(2-naphthyloxy)pyrrolidin-1-yl]quinazoline · in 1 record
- PFJ · 6,7-dimethoxy-4-[(3R)-3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline · in 1 record
- PFK · 6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline · in 1 record
- PFR · 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline · in 1 record
- PFW · 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline · in 1 record
- Z73 · 2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine · in 1 record
Experiment against prediction
- 2O8H chain A against the predicted model Q9QYJ6: TM-score 0.99, RMSD 0.76 Å
- 2O8H chain A against the predicted model Q9QYJ6: TM-score 0.99, RMSD 0.76 Å
- 3HQZ chain A against the predicted model Q9QYJ6: TM-score 0.99, RMSD 0.75 Å
- 3HQZ chain A against the predicted model Q9QYJ6: TM-score 0.99, RMSD 0.75 Å
- 3HR1 chain A against the predicted model Q9QYJ6: TM-score 0.99, RMSD 0.76 Å
- 3HR1 chain A against the predicted model Q9QYJ6: TM-score 0.99, RMSD 0.76 Å
- 3LXG chain A against the predicted model Q9QYJ6: TM-score 0.99, RMSD 0.77 Å
- 3LXG chain A against the predicted model Q9QYJ6: TM-score 0.99, RMSD 0.77 Å
- 2OVV chain A against the predicted model Q9QYJ6: TM-score 0.99, RMSD 0.76 Å
- 2OVV chain A against the predicted model Q9QYJ6: TM-score 0.99, RMSD 0.76 Å
Elsewhere
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