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Atomistry » Magnesium » PDB 5uhd-5usg » 5up0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Magnesium » PDB 5uhd-5usg » 5up0 » |
Magnesium in PDB 5up0: Crystal Structure of Human PDE1B Catalytic Domain in Complex with Inhibitor 3 (6-(4-Chlorobenzyl)-8,9,10,11-Tetrahydrobenzo[4, 5]Thieno[3,2-E][1,2,4]Triazolo[1,5-C]Pyrimidin-5(6H)-One)Enzymatic activity of Crystal Structure of Human PDE1B Catalytic Domain in Complex with Inhibitor 3 (6-(4-Chlorobenzyl)-8,9,10,11-Tetrahydrobenzo[4, 5]Thieno[3,2-E][1,2,4]Triazolo[1,5-C]Pyrimidin-5(6H)-One)
All present enzymatic activity of Crystal Structure of Human PDE1B Catalytic Domain in Complex with Inhibitor 3 (6-(4-Chlorobenzyl)-8,9,10,11-Tetrahydrobenzo[4, 5]Thieno[3,2-E][1,2,4]Triazolo[1,5-C]Pyrimidin-5(6H)-One):
3.1.4.17; Protein crystallography data
The structure of Crystal Structure of Human PDE1B Catalytic Domain in Complex with Inhibitor 3 (6-(4-Chlorobenzyl)-8,9,10,11-Tetrahydrobenzo[4, 5]Thieno[3,2-E][1,2,4]Triazolo[1,5-C]Pyrimidin-5(6H)-One), PDB code: 5up0
was solved by
E.P.Cedervall,
C.K.Allerston,
R.Xu,
V.Sridhar,
R.Barker,
K.Aertgeerts,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 5up0:
The structure of Crystal Structure of Human PDE1B Catalytic Domain in Complex with Inhibitor 3 (6-(4-Chlorobenzyl)-8,9,10,11-Tetrahydrobenzo[4, 5]Thieno[3,2-E][1,2,4]Triazolo[1,5-C]Pyrimidin-5(6H)-One) also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Human PDE1B Catalytic Domain in Complex with Inhibitor 3 (6-(4-Chlorobenzyl)-8,9,10,11-Tetrahydrobenzo[4, 5]Thieno[3,2-E][1,2,4]Triazolo[1,5-C]Pyrimidin-5(6H)-One)
(pdb code 5up0). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Human PDE1B Catalytic Domain in Complex with Inhibitor 3 (6-(4-Chlorobenzyl)-8,9,10,11-Tetrahydrobenzo[4, 5]Thieno[3,2-E][1,2,4]Triazolo[1,5-C]Pyrimidin-5(6H)-One), PDB code: 5up0: Magnesium binding site 1 out of 1 in 5up0Go back to![]() ![]()
Magnesium binding site 1 out
of 1 in the Crystal Structure of Human PDE1B Catalytic Domain in Complex with Inhibitor 3 (6-(4-Chlorobenzyl)-8,9,10,11-Tetrahydrobenzo[4, 5]Thieno[3,2-E][1,2,4]Triazolo[1,5-C]Pyrimidin-5(6H)-One)
![]() Mono view ![]() Stereo pair view
Reference:
B.Dyck,
B.Branstetter,
T.Gharbaoui,
A.R.Hudson,
J.G.Breitenbucher,
L.Gomez,
I.Botrous,
T.Marrone,
R.Barido,
C.K.Allerston,
E.P.Cedervall,
R.Xu,
V.Sridhar,
R.Barker,
K.Aertgeerts,
K.Schmelzer,
D.Neul,
D.Lee,
M.E.Massari,
C.B.Andersen,
K.Sebring,
X.Zhou,
R.Petroski,
J.Limberis,
M.Augustin,
L.E.Chun,
T.E.Edwards,
M.Peters,
A.Tabatabaei.
Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J. Med. Chem. V. 60 3472 2017.
Page generated: Mon Sep 30 05:23:21 2024
ISSN: ISSN 1520-4804 PubMed: 28406621 DOI: 10.1021/ACS.JMEDCHEM.7B00302 |
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