Brand  (β version)

PDB ID: 4NPV

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Ligands
Code Name Style Show Link
0NK 6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine PoSSuM
MG Magnesium ion PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 4NPV   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal structure of human PDE1B bound to inhibitor 7A (6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine)
Release Data : 2014-07-16
Compound :
mol_id molecule chains synonym
1 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B A Cam-PDE 1B, 63 kDa Cam-PDE
ec: 3.1.4.17
fragment: UNP RESIDUES 142-507
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human ESCHERICHIA COLI  (taxid:562)
gene: PDE1B, PDE1B1, PDES1B
Authors : Pandit, J., Evdomikov, A., Mansour, M., Simons, S.
Keywords : HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.40 Å )
Citation :

Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1

Humphrey, J.M.,Yang, E.X.,Am Ende, C.W.  et al.
(2014)  MEDCHEMCOMM 

DOI: 10.1039/C4MD00113C

Reaction

Chain : A
UniProt : Q01064 (PDE1B_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a nucleoside 3',5'-cyclic phosphate + H2O = a nucleoside 5'- phosphate + H(+) 3.1.4.17 PubMed:15260978, PubMed:8855339, PubMed:9419816
left-to-right PubMed:15260978
3',5'-cyclic GMP + H2O = GMP + H(+) - PubMed:15260978, PubMed:9419816
left-to-right PubMed:15260978
3',5'-cyclic AMP + H2O = AMP + H(+) - PubMed:15260978, PubMed:8855339, PubMed:9419816
left-to-right PubMed:15260978