Structure of PDB 5sk2 Chain A Binding Site BS02

Receptor Information
>5sk2 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 IDKB6
InChIInChI=1S/C21H17FN2O2/c1-14-19(24-21(26-14)15-6-8-18(22)9-7-15)10-11-25-20-12-16-4-2-3-5-17(16)13-23-20/h2-9,12-13H,10-11H2,1H3
InChIKeyFMBOBXXAORGVDA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(nc(o1)c2ccc(cc2)F)CCOc3cc4ccccc4cn3
ACDLabs 12.01Fc1ccc(cc1)c1nc(CCOc2cc3ccccc3cn2)c(C)o1
CACTVS 3.385Cc1oc(nc1CCOc2cc3ccccc3cn2)c4ccc(F)cc4
FormulaC21 H17 F N2 O2
Name3-{2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}isoquinoline
ChEMBL
DrugBank
ZINC
PDB chain5sk2 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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PDB5sk2 Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.14 Å
Binding residue
(original residue number in PDB)		L675 V678 I692 M713 Q726 F729 A732
Binding residue
(residue number reindexed from 1)		L218 V221 I235 M256 Q269 F272 A275
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:5sk2, PDBe:5sk2, PDBj:5sk2
PDBsum5sk2
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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