Structure of PDB 2pw3 Chain A Binding Site BS01
Receptor Information
>2pw3 Chain A (length=327) Species:
9606
(Homo sapiens) [
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TEQEDVLAKELEDVNKWGLHVFRIAELSGNRPLTVIMHTIFQERDLLKTF
KIPVDTLITYLMTLEDHYHADVAYHNNIHAADVVQSTHVLLSTPALEAVF
TDLEILAAIFASAIHNVDHPGVSNQFLINTNSELALMYNDSSVLENHHLA
VGFKLLQEENCDIFQNLTKKQRQSLRKMVIDIVLATDMSKHMNLLADLKT
MVETKKVTSSGVLLLDNYSDRIQVLQNMVHCADLSNPTKPLQLYRQWTDR
IMEEFFRQGDRERERGMEISPMCDKHNASVEKSQVGFIDYIVHPLWETWA
DLVHPDAQDILDTLEDNREWYQSTIPQ
Ligand information
Ligand ID
ZN
InChI
InChI=1S/Zn/q+2
InChIKey
PTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
Formula
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
2pw3 Chain A Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
2pw3
The molecular basis for different recognition of substrates by phosphodiesterase families 4 and 10.
Resolution
1.56 Å
Binding residue
(original residue number in PDB)
H164 H200 N201 D318
Binding residue
(residue number reindexed from 1)
H79 H115 N116 D233
Annotation score
1
Binding affinity
Manual survey: Km=56nM (17562314)
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
View graph for
Biological Process
External links
PDB
RCSB:2pw3
,
PDBe:2pw3
,
PDBj:2pw3
PDBsum
2pw3
PubMed
17582435
UniProt
Q08499
|PDE4D_HUMAN 3',5'-cyclic-AMP phosphodiesterase 4D (Gene Name=PDE4D)
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