Structure of PDB 4md6 Chain A

Receptor sequence
>4md6A (length=299) Species: 9606 (Homo sapiens) [Search protein sequence]
EETRELQSLAAAVVPSAQTLKITDFSFSDFELSDLETALCTIRMFTDLNL
VQNFQMKHEVLCRWILSVKKNYRKNVAYHNWRHAFNTAQCMFAALKAGKI
QNKLTDLEILALLIAALSHDLDHRGVNNSYIQCHSIMEHHHFDQCLMILN
SPGNQILSGLSIEEYKTTLKIIKQAILATDLALYIKRRGEFFELIRKNQF
NLEDPHQKELFLAMLMTACDLSAITKPWPIQQRIAELVATEFFDQGEKKN
KIPSMQVGFIDAICLQLYEALTHVSEDCFPLLDGCRKNRQKWQALAEQQ
3D structure
PDB4md6 Discovery of 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one as a phosphodiesterase-5 inhibitor and its complex crystal structure.
ChainA
Resolution2.0 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 24E A L725 A767 I768 V782 A783 F787 I813 M816 Q817 F820 L181 A223 I224 V238 A239 F243 I252 M255 Q256 F259 MOAD: ic50=17nM
PDBbind-CN: -logKd/Ki=7.77,IC50=17nM
BindingDB: IC50=17nM
BS02 ZN A H617 H653 D654 D764 H83 H119 D120 D220
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:4md6, PDBe:4md6, PDBj:4md6
PDBsum4md6
PubMed24565909
UniProtO76074|PDE5A_HUMAN cGMP-specific 3',5'-cyclic phosphodiesterase (Gene Name=PDE5A)

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