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BioLiP

Structure of PDB 3ly2 Chain F Binding Site BS02

Receptor Information
>3ly2 Chain F (length=329) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNTENEDHLAKELEDLNKWGLNIFNVAGYSHNRPLTCIMYAIFQERDLLK
TFRISSDTFITYMMTLEDHYHSDVAYHNSLHAADVAQSTHVLLSTPALDA
VFTDLEILAAIFAAAIHDVDHPGVSNQFLINTNSELALMYNDESVLENHH
LAVGFKLLQEEHCDIFMNLTKKQRQTLRKMVIDMVLATDMSKHMSLLADL
KTMVETKKVTSSGVLLLDNYTDRIQVLRNMVHCADLSNPTKSLELYRQWT
DRIMEEFFQQGDKERERGMEISPMCDKHTASVEKSQVGFIDYIVHPLWET
WADLVQPDAQDILDTLEDNRNWYQSMIPQ
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 chain3ly2 Chain F Residue 1001 [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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PDB3ly2 Water-soluble PDE4 inhibitors for the treatment of dry eye.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H238 H274 D275 D392
Binding residue
(residue number reindexed from 1)		H81 H117 D118 D235
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.53: 3',5'-cyclic-AMP 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:3ly2, PDBe:3ly2, PDBj:3ly2
PDBsum3ly2
PubMed20378348
UniProtQ07343|PDE4B_HUMAN 3',5'-cyclic-AMP phosphodiesterase 4B (Gene Name=PDE4B)

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