Structure of PDB 5shx Chain B Binding Site BS02

Receptor Information
>5shx 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 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 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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PDB5shx Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.16 Å
Binding residue
(original residue number in PDB)		L635 I692 M713 F729
Binding residue
(residue number reindexed from 1)		L179 I236 M257 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

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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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