Structure of PDB 5sh1 Chain D Binding Site BS02
Receptor Information
>5sh1 Chain D (length=310) Species:
9606
(Homo sapiens) [
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LMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKL
CRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLI
ACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGH
NIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNN
QSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGI
QPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDN
LSQWEKVIRG
Ligand information
Ligand ID
IZW
InChI
InChI=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
InChIKey
JTAWSBLAJAKTEW-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
Cc1oc(nc1CCOc2cccc3cccnc23)c4ccccc4
ACDLabs 12.01
Cc1oc(nc1CCOc1cccc2cccnc21)c1ccccc1
OpenEye OEToolkits 2.0.7
Cc1c(nc(o1)c2ccccc2)CCOc3cccc4c3nccc4
Formula
C21 H18 N2 O2
Name
8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinoline
ChEMBL
DrugBank
ZINC
PDB chain
5sh1 Chain D Residue 803 [
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Receptor-Ligand Complex Structure
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PDB
5sh1
Crystal Structure of a human phosphodiesterase 10 complex
Resolution
2.2 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 score
1
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
PDBsum
5sh1
PubMed
UniProt
Q9Y233
|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)
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