Structure of PDB 5si5 Chain A Binding Site BS02

Receptor Information
>5si5 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 IDJM0
InChIInChI=1S/C15H19N5O3S/c1-5-6-11-16-9(2)13-14(19-24(4,21)22)17-10-7-8-12(23-3)18-15(10)20(11)13/h7-8H,5-6H2,1-4H3,(H,17,19)
InChIKeyWYHTXPAKFZNNJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCc1nc(C)c2n1c3nc(OC)ccc3nc2N[S](C)(=O)=O
ACDLabs 12.01CS(=O)(=O)Nc1nc2ccc(OC)nc2n2c1c(C)nc2CCC
OpenEye OEToolkits 2.0.7CCCc1nc(c2n1c3c(ccc(n3)OC)nc2NS(=O)(=O)C)C
FormulaC15 H19 N5 O3 S
NameN-[(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-yl]methanesulfonamide
ChEMBLCHEMBL1085374
DrugBank
ZINCZINC000049037523
PDB chain5si5 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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PDB5si5 Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.27 Å
Binding residue
(original residue number in PDB)		V678 A689 I692 F696 Q726 F729 Y730
Binding residue
(residue number reindexed from 1)		V221 A232 I235 F239 Q269 F272 Y273
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5si5, PDBe:5si5, PDBj:5si5
PDBsum5si5
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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