Structure of PDB 5shw Chain B Binding Site BS02

Receptor Information
>5shw 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 IDJJ6
InChIInChI=1S/C13H11N3O/c17-9-10-6-7-16-12(8-10)14-13(15-16)11-4-2-1-3-5-11/h1-8,17H,9H2
InChIKeyPIGSUKKNFKKDMJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2nc3cc(ccn3n2)CO
CACTVS 3.385OCc1ccn2nc(nc2c1)c3ccccc3
ACDLabs 12.01OCc1ccn2nc(nc2c1)c1ccccc1
FormulaC13 H11 N3 O
Name[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
ChEMBL
DrugBank
ZINC
PDB chain5shw 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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PDB5shw Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.19 Å
Binding residue
(original residue number in PDB)		T685 A689 M713 Q726 F729
Binding residue
(residue number reindexed from 1)		T229 A233 M257 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

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Molecular Function
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Biological Process
External links
PDB RCSB:5shw, PDBe:5shw, PDBj:5shw
PDBsum5shw
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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