Magnesium in PDB 6qdr: Crystal Structure of 14-3-3SIGMA in Complex with A PAK6 PT99 Phosphopeptide

Enzymatic activity of Crystal Structure of 14-3-3SIGMA in Complex with A PAK6 PT99 Phosphopeptide

All present enzymatic activity of Crystal Structure of 14-3-3SIGMA in Complex with A PAK6 PT99 Phosphopeptide:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of 14-3-3SIGMA in Complex with A PAK6 PT99 Phosphopeptide, PDB code: 6qdr was solved by S.A.Andrei, A.Kaplan, A.E.Fournier, C.Ottman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	41.84 / 1.62
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	82.479, 112.397, 62.667, 90.00, 90.00, 90.00
*R / R_free (%)*	15.1 / 18.2

Other elements in 6qdr:

The structure of Crystal Structure of 14-3-3SIGMA in Complex with A PAK6 PT99 Phosphopeptide also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Chlorine	(Cl)	1 atom
Sodium	(Na)	3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of 14-3-3SIGMA in Complex with A PAK6 PT99 Phosphopeptide (pdb code 6qdr). 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 14-3-3SIGMA in Complex with A PAK6 PT99 Phosphopeptide, PDB code: 6qdr:

Magnesium binding site 1 out of 1 in 6qdr

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Magnesium Binding Sites List in 6qdr

Magnesium binding site 1 out of 1 in the Crystal Structure of 14-3-3SIGMA in Complex with A PAK6 PT99 Phosphopeptide

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of 14-3-3SIGMA in Complex with A PAK6 PT99 Phosphopeptide within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg304 b:22.1 occ:1.00	O	A:GLU161	2.3	16.0	1.0
	O	A:HOH642	2.4	33.9	1.0
	O	A:HOH494	2.5	34.9	1.0
	O	A:HOH550	2.6	23.4	1.0
	C	A:GLU161	3.5	12.8	1.0
	HA	A:MET162	3.7	13.7	1.0
	HB3	A:GLU161	4.0	16.6	1.0
	HA	A:GLU161	4.1	12.5	1.0
	HD3	A:PRO163	4.2	18.9	1.0
	CA	A:GLU161	4.4	10.4	1.0
	N	A:MET162	4.4	9.9	1.0
	CA	A:MET162	4.5	11.4	1.0
	OE2	A:GLU115	4.5	20.5	0.6
	CB	A:GLU161	4.7	13.8	1.0
	OE1	A:GLU161	4.8	28.0	1.0
	HG2	A:MET162	4.9	18.6	1.0
	HG3	A:MET162	5.0	18.6	1.0
	CD	A:PRO163	5.0	15.7	1.0

Reference:

A.Kaplan, S.A.Andrei, C.Ottmann, A.E.Fournier. A Single-Agent Polypharmacological Approach to Stimulate Axon Regeneration To Be Published.

Page generated: Tue Oct 1 15:27:51 2024

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