Structure of PDB 5sh1 Chain D Binding Site BS02

Receptor Information
>5sh1 Chain D (length=310) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKL
CRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLI
ACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGH
NIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNN
QSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGI
QPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDN
LSQWEKVIRG
Ligand information
Ligand IDIZW
InChIInChI=1S/C21H18N2O2/c1-15-18(23-21(25-15)17-7-3-2-4-8-17)12-14-24-19-11-5-9-16-10-6-13-22-20(16)19/h2-11,13H,12,14H2,1H3
InChIKeyJTAWSBLAJAKTEW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1oc(nc1CCOc2cccc3cccnc23)c4ccccc4
ACDLabs 12.01Cc1oc(nc1CCOc1cccc2cccnc21)c1ccccc1
OpenEye OEToolkits 2.0.7Cc1c(nc(o1)c2ccccc2)CCOc3cccc4c3nccc4
FormulaC21 H18 N2 O2
Name8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinoline
ChEMBL
DrugBank
ZINC
PDB chain5sh1 Chain D Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5sh1 Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.2 Å
Binding residue
(original residue number in PDB)
F639 L675 S677 I692 F696 M713 F729 A732
Binding residue
(residue number reindexed from 1)
F181 L217 S219 I234 F238 M255 F271 A274
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:5sh1, PDBe:5sh1, PDBj:5sh1
PDBsum5sh1
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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