Structure of PDB 3hc8 Chain A Binding Site BS02

Receptor Information

>3hc8 Chain A (length=324) Species: 9606 (Homo sapiens)

ETRELQSLAAAVVPSAQTLKITDFSFSDFELSDLETALCTIRMFTDLNLV
QNFQMKHEVLCRWILSVKKNYRKNVAYHNWRHAFNTAQCMFAALKAGKIQ
NKLTDLEILALLIAALSHDLDHPGVSNQFLINTNSELALMYNDESVLEHH
HFDQCLMILNSPGNQILSGLSIEEYKTTLKIIKQAILATDLALYIKRRGE
FFELIRKNQFNLEDPHEKELFLAMLMTACDLSAITKPWPIQQRIAELVAT
EFFDQGDRERKELNIEPTDLMNREKKNKIPSMQVGFIDAICLQLYEALTH
VSEDCFPLLDGCRKNRQKWQALAE

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 3hc8 Chain A Residue 864

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3hc8 Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system.
• Resolution: 1.79 Å
• Binding residue (original residue number in PDB): H617 H653 D654 D764
• Binding residue (residue number reindexed from 1): H82 H118 D119 D230
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.4.35: 3',5'-cyclic-GMP phosphodiesterase.
  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

External links

• PDB: RCSB:3hc8, PDBe:3hc8, PDBj:3hc8
• PDBsum: 3hc8
• PubMed: 19539468
• UniProt: O76074|PDE5A_HUMAN cGMP-specific 3',5'-cyclic phosphodiesterase (Gene Name=PDE5A);
  P27815|PDE4A_HUMAN 3',5'-cyclic-AMP phosphodiesterase 4A (Gene Name=PDE4A)