Structure of PDB 7cwg Chain A Binding Site BS01

Receptor Information
>7cwg Chain A (length=338) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDVPPRIARAMENEEYWDFDIFELEAATHNRPLIYLGLKMFARFGICEFL
HCSESTLRSWLQIIEANYHSSNPYHNSTHSADVLHATAYFLSKERIKETL
DPIDEVAALIAATIHDVDHPGRTNSFLCNAGSELAILYNDTAVLESHHAA
LAFQLTTGDDKCNIFKNMERNDYRTLRQGIIDMVLATEMTKHFEHVNKFV
NSINKPLATLEENGETDKNQEVINTMLRTPENRTLIKRMLIKCADVSNPC
RPLQYCIEWAARISEEYFSQTDEEKQQGLPVVMPVFDRNTCSIPKSQISF
IDYFITDMFDAWDAFVDLPDLMQHLDNNFKYWKGLDEM
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 chain7cwg Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cwg Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H596 D597 D726
Binding residue
(residue number reindexed from 1)		H115 D116 D245
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7cwg, PDBe:7cwg, PDBj:7cwg
PDBsum7cwg
PubMed33291877
UniProtO60658|PDE8A_HUMAN High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A (Gene Name=PDE8A)

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