Structure of PDB 5she Chain A Binding Site BS02

Receptor Information
>5she 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 IDJD6
InChIInChI=1S/C10H11N3/c1-6-7(2)13-10-5-8(11)3-4-9(10)12-6/h3-5H,11H2,1-2H3
InChIKeyQBZGAULXCVZXFL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Nc1cc2nc(C)c(C)nc2cc1
OpenEye OEToolkits 2.0.7Cc1c(nc2cc(ccc2n1)N)C
CACTVS 3.385Cc1nc2ccc(N)cc2nc1C
FormulaC10 H11 N3
Name2,3-dimethylquinoxalin-6-amine
ChEMBLCHEMBL4548867
DrugBank
ZINCZINC000000169546
PDB chain5she Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5she Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.19 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:5she, PDBe:5she, PDBj:5she
PDBsum5she
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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