Structure of PDB 5sj6 Chain B Binding Site BS02

Receptor Information
>5sj6 Chain B (length=318) 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
DNLSQWEKVIRGEETATW
Ligand information
Ligand IDJXX
InChIInChI=1S/C12H12ClN3O/c13-12-14-10-4-2-1-3-9(10)11(15-12)16-5-7-17-8-6-16/h1-4H,5-8H2
InChIKeyNJBDGZVAZRMIFM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Clc1nc(N2CCOCC2)c2ccccc2n1
CACTVS 3.385Clc1nc2ccccc2c(n1)N3CCOCC3
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(nc(n2)Cl)N3CCOCC3
FormulaC12 H12 Cl N3 O
Name2-chloro-4-(morpholin-4-yl)quinazoline
ChEMBL
DrugBank
ZINCZINC000003219793
PDB chain5sj6 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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PDB5sj6 Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.15 Å
Binding residue
(original residue number in PDB)		H525 S677 V678 I692 F696 Q726 F729
Binding residue
(residue number reindexed from 1)		H69 S221 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

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Molecular Function
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Biological Process
External links
PDB RCSB:5sj6, PDBe:5sj6, PDBj:5sj6
PDBsum5sj6
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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