Structure of PDB 5w6e Chain A Binding Site BS01

Receptor Information
>5w6e Chain A (length=321) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YSTAVLNCLKNLDLWCFDVFSLNQAADDHALRTIVFELLTRHNLISRFKI
PTVFLMSFLDALETGYGKYKNPYHNQIHAADVTQTVHCFLLRTGMVHCLS
EIELLAIIFAAAIHDYEHTGTTNSFHIQTKSECAIVYNDRSVLENHHISS
VFRLMQDDEMNIFINLTKDEFVELRALVIEMVLATDMSCHFQQVKTMKTA
LQQLERIDKPKALSLLLHAADISHPTKQWLVHSRWTKALMEEFFRQGDKE
AELGLPFSPLCDRTSTLVAQSQIGFIDFIVEPTFSVLTDVAEKSVQVVSF
RSTWVKRIQENKQKWKERAAS
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5w6e Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5w6e Discovery of Potent and Selective Periphery-Restricted Quinazoline Inhibitors of the Cyclic Nucleotide Phosphodiesterase PDE1.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H227 H263 D264 D370
Binding residue
(residue number reindexed from 1)		H78 H114 D115 D221
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:5w6e, PDBe:5w6e, PDBj:5w6e
PDBsum5w6e
PubMed29718668
UniProtQ01064|PDE1B_HUMAN Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Gene Name=PDE1B)

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