Structure of PDB 5shv Chain A Binding Site BS02

Receptor Information
>5shv Chain A (length=313) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEK
LCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLL
IACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEG
HNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLN
NQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLG
IQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRD
NLSQWEKVIRGEE
Ligand information
Ligand IDJKX
InChIInChI=1S/C10H11FN2O/c11-9-2-1-3-10(12-9)13-6-4-8(14)5-7-13/h1-3H,4-7H2
InChIKeyVDABBWFIBCXQRU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(nc(c1)F)N2CCC(=O)CC2
ACDLabs 12.01Fc1nc(ccc1)N1CCC(=O)CC1
CACTVS 3.385Fc1cccc(n1)N2CCC(=O)CC2
FormulaC10 H11 F N2 O
Name1-(6-fluoropyridin-2-yl)piperidin-4-one
ChEMBL
DrugBank
ZINCZINC000020246930
PDB chain5shv Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5shv Crystal Structure of a human phosphodiesterase 10 complex
Resolution1.95 Å
Binding residue
(original residue number in PDB)		F696 M713 Q726 F729
Binding residue
(residue number reindexed from 1)		F239 M256 Q269 F272
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.17: 3',5'-cyclic-nucleotide phosphodiesterase.
Gene Ontology
Molecular Function
GO:0004114 3',5'-cyclic-nucleotide phosphodiesterase activity
GO:0008081 phosphoric diester hydrolase activity
Biological Process
GO:0007165 signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:5shv, PDBe:5shv, PDBj:5shv
PDBsum5shv
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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