Structure of PDB 4d08 Chain D Binding Site BS01

Receptor Information
>4d08 Chain D (length=335) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLLIQPVAAIDSNFASFTYTPRSLPEDDTSMAILSMLQDMNFINNYKIDC
PTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKNLELTNYLEDIEI
FALFISCMCHDLDHRGTNNSFQVASKSVLAALYSSEGSVMERHHFAQAIA
ILNTHGCNIFDHFSRKDYQRMLDLMRDIILATDLAHHLRIFKDLQKMAEV
GYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKTTRKIAELIYKEFFSQGDL
EKAMGNRPMEMMDREKAYIPELQISFMEHIAMPIYKLLQDLFPKAAELYE
RVASNREHWTKVSHKFTIRGLPSNNSLDFLDEEYE
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 chain4d08 Chain D Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4d08 Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H660 H696 D697 D808
Binding residue
(residue number reindexed from 1)		H74 H110 D111 D222
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:4d08, PDBe:4d08, PDBj:4d08
PDBsum4d08
PubMed25221665
UniProtO00408|PDE2A_HUMAN cGMP-dependent 3',5'-cyclic phosphodiesterase (Gene Name=PDE2A)

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