Bromine in PDB 9ew4: Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12MER (PS259) and Compound 86 (1124384)

Enzymatic activity of Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12MER (PS259) and Compound 86 (1124384)

All present enzymatic activity of Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12MER (PS259) and Compound 86 (1124384):
2.7.11.1;

Protein crystallography data

The structure of Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12MER (PS259) and Compound 86 (1124384), PDB code: 9ew4 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)*	56.37 / 1.60
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	81.874, 112.61, 62.992, 90, 90, 90
*R / R_free (%)*	18 / 21.1

Other elements in 9ew4:

The structure of Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12MER (PS259) and Compound 86 (1124384) also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Chlorine	(Cl)	1 atom
Fluorine	(F)	1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12MER (PS259) and Compound 86 (1124384) (pdb code 9ew4). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12MER (PS259) and Compound 86 (1124384), PDB code: 9ew4:

Bromine binding site 1 out of 1 in 9ew4

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Bromine Binding Sites List in 9ew4

Bromine binding site 1 out of 1 in the Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12MER (PS259) and Compound 86 (1124384)

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12MER (PS259) and Compound 86 (1124384) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br305 b:104.5 occ:1.00	BR1	A:WQ9305	0.0	104.5	1.0
	C11	A:WQ9305	1.9	65.6	1.0
	C10	A:WQ9305	2.8	53.8	1.0
	C12	A:WQ9305	2.9	60.3	1.0
	F1	A:WQ9305	3.1	65.6	1.0
	CD1	A:ILE219	3.7	32.3	1.0
	CD1	A:LEU218	3.7	44.2	1.0
	CG2	P:VAL263	4.1	53.2	1.0
	C9	A:WQ9305	4.1	48.9	1.0
	C13	A:WQ9305	4.2	53.3	1.0
	CG1	A:ILE219	4.4	27.7	1.0
	CG	P:PRO261	4.5	25.6	1.0
	CD2	A:LEU218	4.6	45.7	1.0
	C8	A:WQ9305	4.7	44.8	1.0
	CG	A:LEU218	4.7	41.1	1.0
	O	P:PRO261	4.8	24.7	1.0
	CD	P:PRO261	4.8	23.2	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: Mon Jul 7 12:58:20 2025

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