Structure of PDB 6njj Chain A

Receptor sequence
>6njjA (length=334) Species: 9606 (Homo sapiens) [Search protein sequence]
QEDVLAKELEDVNKWGLHVFRIAELSGNRPLTVIMHTIFQERDLLKTFKI
PVDTLITYLMTLEDHYHADVAYHNNIHAADVVQSTHVLLSTPALEAVFTD
LEILAAIFASAIHDVDHPGVSNQFLINTNSELALMYNDSSVLENHHLAVG
FKLLQEENCDIFQNLTKKQRQSLRKMVIDIVLATDMSKHMNLLADLKTMV
ETKKVTVLLLDNYSDRIQVLQNMVHCADLSNPTKPLQLYRQWTDRIMEEF
FRQGDRERERGMEISPMCDKHNASVEKSQVGFIDYIVHPLWETWADLVHP
DAQDILDTLEDNREWYQSTIPNQVSEFISNTFLD
3D structure
PDB6njj Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
ChainA
Resolution2.3 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 3.1.4.53: 3',5'-cyclic-AMP phosphodiesterase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 ZN A H330 H366 D367 D484 H77 H113 D114 D228
BS02 KR7 A M439 N487 W498 T499 I502 Q535 F538 F599 T603 M186 N231 W242 T243 I246 Q279 F282 F327 T331 PDBbind-CN: -logKd/Ki=5.99,IC50=1018nM
BindingDB: IC50=127nM
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:6njj, PDBe:6njj, PDBj:6njj
PDBsum6njj
PubMed31013090
UniProtQ08499|PDE4D_HUMAN 3',5'-cyclic-AMP phosphodiesterase 4D (Gene Name=PDE4D)

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