Structure of PDB 3jwq Chain D Binding Site BS01

Receptor Information

>3jwq Chain D (length=323) Species: 9606 (Homo sapiens)

TRELQSLAAAVVPSAQTLKITDFSFSDFELSDLETALCTIRMFTDLNLVQ
NFQMKHEVLCRWILSVKKNYRKNVAYHNWRHAFNTAQCMFAALKAGKIQN
KLTDLEILALLIAALSHDLDHRGVNNSYIQRSEHPLAQLYCHSIMEHHHF
DQCLMILNSPGNQILSGLSIEEYKTTLKIIKQAILATDLALYIKRRGEFF
ELIRKNQFNLEDPHQKELFLAMLMTACDLSAITKPWPIQQRIAELVATEF
WEQGDLERTVLQQQPIPMMDRNKRDELPKLQVGFIDFVCTQLYEALTHVS
EDCFPLLDGCRKNRQKWQALAEQ

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: 3jwq Chain D Residue 899

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3jwq Structural basis of phosphodiesterase 6 inhibition by the C-terminal region of the gamma-subunit
• Resolution: 2.87 Å
• Binding residue (original residue number in PDB): H617 H653 D654 D764
• Binding residue (residue number reindexed from 1): H81 H117 D118 D228
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.4.35: 3',5'-cyclic-GMP 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:3jwq, PDBe:3jwq, PDBj:3jwq
• PDBsum: 3jwq
• PubMed: 19798052
• UniProt: O76074|PDE5A_HUMAN cGMP-specific 3',5'-cyclic phosphodiesterase (Gene Name=PDE5A);
  P51160