Magnesium in PDB 3hdz: Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors

Enzymatic activity of Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors

All present enzymatic activity of Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors:
3.1.4.35; 3.1.4.53;

Protein crystallography data

The structure of Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors, PDB code: 3hdz was solved by J.W.Cubbage, D.G.Brown, E.J.Jacobsen, J.K.Walker, R.O.Hughes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	19.67 / 1.80
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	56.015, 76.502, 80.720, 90.00, 102.90, 90.00
*R / R_free (%)*	17.9 / 21

Other elements in 3hdz:

The structure of Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors (pdb code 3hdz). 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 Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors, PDB code: 3hdz:

Magnesium binding site 1 out of 1 in 3hdz

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Magnesium Binding Sites List in 3hdz

Magnesium binding site 1 out of 1 in the Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg865 b:10.3 occ:1.00	O	A:HOH5	2.0	8.5	1.0
	OD1	A:ASP654	2.0	10.5	1.0
	O	A:HOH384	2.1	11.2	1.0
	O	A:HOH3	2.1	8.1	1.0
	O	A:HOH383	2.1	10.5	1.0
	O	A:HOH8	2.2	8.2	1.0
	CG	A:ASP654	3.1	10.6	1.0
	OD2	A:ASP654	3.4	9.4	1.0
	O	A:HOH286	3.4	39.8	1.0
	ZN	A:ZN864	3.7	16.5	1.0
	O	A:HOH27	3.9	15.8	1.0
	OE2	A:GLU682	4.0	10.4	1.0
	NE2	A:HIS685	4.1	8.9	1.0
	CD2	A:HIS653	4.1	10.3	1.0
	OG1	A:THR723	4.2	11.2	1.0
	O	A:HOH28	4.2	13.2	1.0
	CD2	A:HIS685	4.3	9.2	1.0
	CE1	A:HIS657	4.3	10.4	1.0
	O	A:THR723	4.3	11.2	1.0
	O	A:HIS653	4.4	9.8	1.0
	ND1	A:HIS657	4.4	13.5	1.0
	CB	A:ASP654	4.4	10.4	1.0
	OD1	A:ASP764	4.6	15.1	1.0
	O	A:HOH43	4.6	15.0	1.0
	NE2	A:HIS653	4.6	9.8	1.0
	CB	A:THR723	4.6	10.9	1.0
	CA	A:ASP654	4.8	10.5	1.0
	CD2	A:HIS613	4.8	12.7	1.0
	CG	A:GLU682	4.8	9.4	1.0
	NE2	A:HIS613	4.8	11.6	1.0
	CD	A:GLU682	4.9	11.3	1.0
	C	A:THR723	5.0	11.1	1.0

Reference:

D.R.Owen, J.K.Walker, E.Jon Jacobsen, J.N.Freskos, R.O.Hughes, D.L.Brown, A.S.Bell, D.G.Brown, C.Phillips, B.V.Mischke, J.M.Molyneaux, Y.M.Fobian, S.E.Heasley, J.B.Moon, W.C.Stallings, D.Joseph Rogier, D.N.Fox, M.J.Palmer, T.Ringer, M.Rodriquez-Lens, J.W.Cubbage, R.M.Blevis-Bal, A.G.Benson, B.A.Acker, T.M.Maddux, M.B.Tollefson, B.R.Bond, A.Macinnes, Y.Yu. Identification, Synthesis and Sar of Amino Substituted Pyrido[3,2B]Pyrazinones As Potent and Selective PDE5 Inhibitors. Bioorg.Med.Chem.Lett. 2009.
ISSN: ESSN 1464-3405
PubMed: 19540112
DOI: 10.1016/J.BMCL.2009.06.012

Page generated: Wed Aug 14 15:08:30 2024

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