Structure of PDB 5sj0 Chain A Binding Site BS02

Receptor Information
>5sj0 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 IDJX9
InChIInChI=1S/C12H17N5/c1-17(9-5-3-2-4-6-9)12-10-11(14-7-13-10)15-8-16-12/h7-9H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyOZPJIMVEOOWKCR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CN(c1ncnc2nc[NH]c12)C1CCCCC1
OpenEye OEToolkits 2.0.7CN(c1c2c(nc[nH]2)ncn1)C3CCCCC3
CACTVS 3.385CN(C1CCCCC1)c2ncnc3nc[nH]c23
FormulaC12 H17 N5
NameN-cyclohexyl-N-methyl-7H-purin-6-amine
ChEMBLCHEMBL4928131
DrugBank
ZINCZINC000004225170
PDB chain5sj0 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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PDB5sj0 Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.35 Å
Binding residue
(original residue number in PDB)		I692 F696 Q726 F729
Binding residue
(residue number reindexed from 1)		I235 F239 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:5sj0, PDBe:5sj0, PDBj:5sj0
PDBsum5sj0
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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