Structure of PDB 5sgz Chain B Binding Site BS02

Receptor Information
>5sgz Chain B (length=315) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELE
KLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGL
LIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLE
GHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNL
NNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKL
GIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACR
DNLSQWEKVIRGEET
Ligand information
Ligand IDIZQ
InChIInChI=1S/C17H13ClN4O2/c1-9-14-17(23)20-12-7-8-13(24-2)21-16(12)22(14)15(19-9)10-5-3-4-6-11(10)18/h3-8H,1-2H3,(H,20,23)
InChIKeyIRRJEMPKRZZKFT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c2n(c(n1)c3ccccc3Cl)-c4c(ccc(n4)OC)NC2=O
CACTVS 3.385COc1ccc2NC(=O)c3n(c2n1)c(nc3C)c4ccccc4Cl
ACDLabs 12.01Clc1ccccc1c1nc(C)c2C(=O)Nc3ccc(OC)nc3n21
FormulaC17 H13 Cl N4 O2
Name(10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6(5H)-one
ChEMBL
DrugBank
ZINC
PDB chain5sgz Chain B 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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PDB5sgz Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L675 V678 I692 F696 Q726 F729
Binding residue
(residue number reindexed from 1)		L219 V222 I236 F240 Q270 F273
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:5sgz, PDBe:5sgz, PDBj:5sgz
PDBsum5sgz
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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