Calcium in PDB 9ew3: Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12-Mer (PS259) and Compound 78 (1084378)

Enzymatic activity of Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12-Mer (PS259) and Compound 78 (1084378)

All present enzymatic activity of Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12-Mer (PS259) and Compound 78 (1084378):
2.7.11.1;

Protein crystallography data

The structure of Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12-Mer (PS259) and Compound 78 (1084378), PDB code: 9ew3 was solved by M.Konstantinidou, H.Vickery, M.A.M.Pennings, J.Virta, E.J.Visser, M.C.M.Oetelaar, M.Overmans, J.Neitz, C.Ottmann, L.Brunsveld, M.R.Arkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	45.81 / 1.40
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	82.543, 112.94, 63.064, 90, 90, 90
*R / R_free (%)*	19.9 / 22.9

Other elements in 9ew3:

The structure of Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12-Mer (PS259) and Compound 78 (1084378) also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Magnesium	(Mg)	3 atoms
Chlorine	(Cl)	1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12-Mer (PS259) and Compound 78 (1084378) (pdb code 9ew3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12-Mer (PS259) and Compound 78 (1084378), PDB code: 9ew3:

Calcium binding site 1 out of 1 in 9ew3

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Calcium Binding Sites List in 9ew3

Calcium binding site 1 out of 1 in the Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12-Mer (PS259) and Compound 78 (1084378)

Mono view

Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12-Mer (PS259) and Compound 78 (1084378) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ca306 b:19.8 occ:1.00	O	A:GLU110	2.3	19.7	1.0
	O	A:HOH530	2.3	24.2	1.0
	O	A:HOH577	2.4	22.5	1.0
	OE2	A:GLU35	2.4	20.6	1.0
	OE1	A:GLU35	2.6	26.1	1.0
	CD	A:GLU35	2.8	26.9	1.0
	C	A:GLU110	3.5	16.7	1.0
	N	A:GLY112	4.1	20.4	1.0
	O	A:HOH587	4.1	35.4	1.0
	CG	A:GLU35	4.3	17.4	1.0
	CA	A:GLU110	4.4	17.4	1.0
	N	A:ALA111	4.5	14.7	1.0
	O	A:HOH455	4.5	26.2	1.0
	CB	A:GLU110	4.5	16.3	1.0
	CA	A:ALA111	4.5	16.2	1.0
	OE1	A:GLU110	4.6	29.7	1.0
	C	A:ALA111	4.8	19.9	1.0
	CA	A:GLY112	4.8	21.1	1.0
	O	A:HOH522	4.9	23.7	1.0

Reference:

M.Konstantinidou, H.Vickery, M.A.M.Pennings, J.Virta, E.J.Visser, M.C.M.Oetelaar, M.Overmans, J.Neitz, C.Ottmann, L.Brunsveld, M.R.Arkin. Small Molecule Stabilization of the 14-3-3SIGMA/Craf Complex Inhibits the Mapk Pathway To Be Published.

Page generated: Thu Jul 10 09:36:14 2025

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