Magnesium in PDB 1zkl: Multiple Determinants For Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases

Enzymatic activity of Multiple Determinants For Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases

All present enzymatic activity of Multiple Determinants For Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases:
3.1.4.17;

Protein crystallography data

The structure of Multiple Determinants For Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases, PDB code: 1zkl was solved by H.Wang, Y.Liu, Y.Chen, H.Robinson, H.Ke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	39.50 / 1.67
*Space group*	P 3₁ 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	115.751, 115.751, 64.290, 90.00, 90.00, 120.00
*R / R_free (%)*	19.4 / 20.7

Other elements in 1zkl:

The structure of Multiple Determinants For Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Multiple Determinants For Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases (pdb code 1zkl). 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 Multiple Determinants For Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases, PDB code: 1zkl:

Magnesium binding site 1 out of 1 in 1zkl

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Magnesium Binding Sites List in 1zkl

Magnesium binding site 1 out of 1 in the Multiple Determinants For Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Multiple Determinants For Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg502 b:13.7 occ:1.00	OD1	A:ASP253	2.1	11.7	1.0
	O	A:HOH508	2.2	11.6	1.0
	O	A:HOH506	2.2	11.2	1.0
	O	A:HOH509	2.2	15.1	1.0
	O	A:HOH507	2.2	13.5	1.0
	O	A:HOH505	2.2	13.8	1.0
	CG	A:ASP253	3.1	12.8	1.0
	OD2	A:ASP253	3.4	12.8	1.0
	ZN	A:ZN501	3.8	15.4	1.0
	OE2	A:GLU282	4.0	15.4	1.0
	NE2	A:HIS285	4.0	11.2	1.0
	O	A:HOH504	4.1	14.9	1.0
	O	A:HIS252	4.2	11.3	1.0
	CD2	A:HIS252	4.2	11.0	1.0
	CD2	A:HIS285	4.2	11.5	1.0
	OG1	A:THR321	4.3	15.1	1.0
	O	A:HOH556	4.3	23.4	1.0
	O	A:HOH756	4.3	39.3	1.0
	OD2	A:ASP362	4.4	15.9	1.0
	CB	A:ASP253	4.4	11.6	1.0
	CD2	A:HIS256	4.5	15.9	1.0
	NE2	A:HIS252	4.6	11.5	1.0
	NE2	A:HIS212	4.7	14.7	1.0
	O	A:THR321	4.7	15.6	1.0
	CA	A:ASP253	4.7	11.9	1.0
	CD2	A:HIS212	4.8	13.9	1.0
	NE2	A:HIS256	4.8	15.6	1.0
	CD	A:GLU282	4.9	15.7	1.0
	CB	A:THR321	4.9	15.0	1.0
	CG	A:GLU282	4.9	15.3	1.0
	C	A:HIS252	5.0	11.2	1.0

Reference:

H.Wang, Y.Liu, Y.Chen, H.Robinson, H.Ke. Multiple Elements Jointly Determine Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases 4 and 7 J.Biol.Chem. V. 280 30949 2005.
ISSN: ISSN 0021-9258
PubMed: 15994308
DOI: 10.1074/JBC.M504398200

Page generated: Tue Aug 13 20:11:16 2024

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