Structure of PDB 3shy Chain A

Receptor sequence
>3shyA (length=298) Species: 9606 (Homo sapiens) [Search protein sequence]
ETRELQSLAAAVVPSAQTLKITDFSFSDFELSDLETALCTIRMFTDLNLV
QNFQMKHEVLCRWILSVKKNYRKNVAYHNWRHAFNTAQCMFAALKAGKIQ
NKLTDLEILALLIAALSHDLDHRGVNNSYIQRSEHSIMEHHHFDQCLMIL
NSPGNQILSGLSIEEYKTTLKIIKQAILATDLALYIKRRGEFFELIRKNQ
FNLEDPHQKELFLAMLMTACDLSAITKPWPIQQRIAELVATEFFDQKKNK
IPSMQVGFIDAICLQLYEALTHVSEDCFPLLDGCRKNRQKWQALAEQQ
3D structure
PDB3shy Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
ChainA
Resolution2.647 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 3.1.4.35: 3',5'-cyclic-GMP 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 5FO A V782 F786 M816 Q817 F820 V239 F243 M254 Q255 F258 PDBbind-CN: -logKd/Ki=7.04,IC50=90.9nM
BindingDB: Kd=1700nM
BS02 ZN A H617 H653 D654 D764 H82 H118 D119 D221
BS03 MG A H613 D654 H78 D119
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:3shy, PDBe:3shy, PDBj:3shy
PDBsum3shy
PubMed21714539
UniProtO76074|PDE5A_HUMAN cGMP-specific 3',5'-cyclic phosphodiesterase (Gene Name=PDE5A)

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