Structure of PDB 4x0f Chain B Binding Site BS01

Receptor Information
>4x0f Chain B (length=414) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPFAQVLASLRSVRNNFTIESYQKLAMETLEELDWALDQLETIQTYRSVS
EMASNKFKRMLNRELTHLSEMSRCGNQVSEYISNTFLDTENEDHLAKELE
DLNKWGLNIFNVAGYSHNRPLTAIMYAIFQERDLLKTFRISSDTFITYMM
TLEDHYHSDVAYHNSLHAADVAQSTHVLLSTPALDAVFTDLEILAAIFAA
AIHDVDHPGVSNQFLINTNSELALMYNDESVLENHHLAVGFKLLQEEHAD
IFMNLTKKQRQTLRKMVIDMVLATDMSKHMSLLADLKTMVETKKVTSSGV
LLLDNYTDRIQVLRNMVHAADLSNPTKSLELYRQWTDRIMEEFFQQGDKE
RERGMEISPMADKHTACVEKSQVGFIDYIVHPLWETWADLVQPDAQDILD
TLEDNRNWYQAMIP
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 chain4x0f Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4x0f Engineered stabilization and structural analysis of the autoinhibited conformation of PDE4.
Resolution3.22 Å
Binding residue
(original residue number in PDB)		H410 H446 D447 D564
Binding residue
(residue number reindexed from 1)		H167 H203 D204 D321
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4x0f, PDBe:4x0f, PDBj:4x0f
PDBsum4x0f
PubMed25775568
UniProtQ07343|PDE4B_HUMAN 3',5'-cyclic-AMP phosphodiesterase 4B (Gene Name=PDE4B)

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