Magnesium in PDB 7nj8: 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1007

Enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1007

All present enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1007:
5.2.1.8;

Protein crystallography data

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1007, PDB code: 7nj8 was solved by M.Wolter, L.V.Dijck, P.J.Cossar, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	34.07 / 1.80
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	82.394, 112.244, 62.584, 90, 90, 90
*R / R_free (%)*	17.1 / 20

Other elements in 7nj8:

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1007 also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1007 (pdb code 7nj8). 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 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1007, PDB code: 7nj8:

Magnesium binding site 1 out of 1 in 7nj8

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Magnesium Binding Sites List in 7nj8

Magnesium binding site 1 out of 1 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1007

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound LVD1007 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg303 b:22.0 occ:0.94	O	A:HOH652	2.2	28.1	1.0
	O	A:HOH414	2.2	22.4	1.0
	O	A:HOH448	2.4	38.9	1.0
	O	A:HOH579	2.4	39.3	1.0
	OE2	A:GLU89	2.4	15.4	1.0
	CD	A:GLU89	3.5	12.0	1.0
	CG	A:GLU89	4.1	12.7	1.0
	O	A:HOH545	4.1	27.8	1.0
	OE1	A:GLU89	4.4	10.2	1.0
	OE1	A:GLN93	4.5	12.3	1.0
	O	A:HOH630	4.5	40.2	1.0
	NH1	A:ARG85	4.5	19.2	1.0
	O	A:HOH537	4.5	31.2	1.0
	NE2	A:GLN93	4.7	12.0	1.0
	CG	A:GLU86	4.7	15.4	1.0
	OG1	A:THR90	4.7	16.0	1.0
	CB	A:GLU89	4.8	9.1	1.0
	O	A:HOH402	4.8	37.9	1.0
	CD	A:GLN93	5.0	16.6	1.0

Reference:

P.J.Cossar, M.Wolter, L.Van Dijck, D.Valenti, L.M.Levy, C.Ottmann, L.Brunsveld. Reversible Covalent Imine-Tethering For Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc. 2021.
ISSN: ESSN 1520-5126
PubMed: 34047554
DOI: 10.1021/JACS.1C03035

Page generated: Thu Oct 3 02:05:03 2024

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