Structure of PDB 5shx Chain A Binding Site BS02

Receptor Information
>5shx 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 IDJJF
InChIInChI=1S/C13H15N3/c1-10-13(16-8-4-5-9-16)15-12-7-3-2-6-11(12)14-10/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyIDVIVWNKKBNROO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1nc2ccccc2nc1N3CCCC3
ACDLabs 12.01Cc1nc2ccccc2nc1N1CCCC1
OpenEye OEToolkits 2.0.7Cc1c(nc2ccccc2n1)N3CCCC3
FormulaC13 H15 N3
Name2-methyl-3-(pyrrolidin-1-yl)quinoxaline
ChEMBLCHEMBL1450919
DrugBank
ZINCZINC000000434844
PDB chain5shx 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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PDB5shx Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.16 Å
Binding residue
(original residue number in PDB)		V678 I692 F696 M713 Q726 F729
Binding residue
(residue number reindexed from 1)		V221 I235 F239 M256 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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5shx, PDBe:5shx, PDBj:5shx
PDBsum5shx
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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