Brand  (β version)

PDB ID: 3GWT

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Ligands
Code Name Style Show Link
066 6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide PoSSuM
ZN Zinc ion PoSSuM
MG Magnesium ion PoSSuM
ARS Arsenic PoSSuM
GOL Glycerol PoSSuM
Non-standard Residues
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Structure summary

Code : 3GWT   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Catalytic domain of human phosphodiesterase 4B2B in complex with a quinoline inhibitor
Release Data : 2010-04-07
Compound :
mol_id molecule chains synonym
1 cAMP-specific 3',5'-cyclic phosphodiesterase 4B A DPDE4, PDE32
ec: 3.1.4.17
fragment: Catalytic domain, residues 324-675
mutation: S654A, S659A, S661A
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: PDE4B, DPDE4
expression_system_vector_type: Baculovirus
Authors : Somers, D.O., Neu, M.
Keywords : PDE, PHOSPHODIESTERASE, cAMP, Hydrolase
Exp. method : X-RAY DIFFRACTION ( 1.75 Å )
Citation :

Quinolines as a novel structural class of potent and selective PDE4 inhibitors. Optimisation for inhaled administration.

Woodrow, M.D.,Ballantine, S.P.,Barker, M.D.  et al.
(2009)  Bioorg.Med.Chem.Lett.  19 : 5261 - 5265

PubMed: 19656678
DOI: 10.1016/j.bmcl.2009.04.012

Reaction

Chain : A
UniProt : Q07343 (PDE4B_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
3',5'-cyclic AMP + H2O = AMP + H(+) 3.1.4.53 PubMed:15260978, PubMed:17519386, PubMed:8392015, PubMed:9371714
left-to-right
Cofactor: Evidence: Note:
Zn(2+) ECO:0000269 | PubMed:10846163
ECO:0000269 | PubMed:15003452
Binds 2 divalent metal cations per subunit. Site 1 may preferentially bind zinc ions.
Mn(2+) ECO:0000269 | PubMed:10846163
ECO:0000269 | PubMed:15003452
ECO:0000269 | PubMed:15003452
Binds 2 divalent metal cations per subunit. Site 2 has a preference for magnesium and/or manganese ions.