Structure of PDB 5sh6 Chain A Binding Site BS02

Receptor Information
>5sh6 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 IDJ7M
InChIInChI=1S/C19H19N3O2/c1-21-16-8-4-3-7-15(16)20-18(21)10-11-22-12-13-24-17-9-5-2-6-14(17)19(22)23/h2-9H,10-13H2,1H3
InChIKeyQIXOTKYBSGRICV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Cn1c2ccccc2nc1CCN1CCOc2ccccc2C1=O
CACTVS 3.385Cn1c(CCN2CCOc3ccccc3C2=O)nc4ccccc14
OpenEye OEToolkits 2.0.7Cn1c2ccccc2nc1CCN3CCOc4ccccc4C3=O
FormulaC19 H19 N3 O2
Name4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
ChEMBL
DrugBank
ZINC
PDB chain5sh6 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5sh6 Crystal Structure of a human phosphodiesterase 10 complex
Resolution1.98 Å
Binding residue
(original residue number in PDB)		L675 V678 I692 Y693 F696 M713 G725 Q726 F729
Binding residue
(residue number reindexed from 1)		L218 V221 I235 Y236 F239 M256 G268 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
View graph for
Biological Process
External links
PDB RCSB:5sh6, PDBe:5sh6, PDBj:5sh6
PDBsum5sh6
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

[Back to BioLiP]