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Bromine 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 / Rfree (%) 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:

Calcium (Ca) 1 atom
Magnesium (Mg) 3 atoms
Chlorine (Cl) 1 atom

Bromine Binding Sites:

The binding sites of Bromine 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 Bromine atom.
In total only one binding site of Bromine was determined in the Ternary Structure of 14-3-3S, C-Raf Phosphopeptide 12-Mer (PS259) and Compound 78 (1084378), PDB code: 9ew3:

Bromine binding site 1 out of 1 in 9ew3

Go back to Bromine Binding Sites List in 9ew3
Bromine 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 Bromine with other atoms in the Br 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:Br305

b:141.9
occ:1.00
 BR1 A:WQN305 0.0 141.9 1.0
C10 A:WQN305 1.9 51.5 1.0
C9 A:WQN305 2.8 38.4 1.0
C11 A:WQN305 2.9 41.7 1.0
O A:HOH529 3.2 38.5 1.0
CG1 A:ILE219 3.3 28.9 1.0
CG1 P:VAL263 3.4 44.4 1.0
CD1 A:ILE219 3.7 28.4 1.0
CD2 A:LEU218 4.0 38.9 1.0
C8 A:WQN305 4.1 36.2 1.0
C12 A:WQN305 4.1 36.6 1.0
O A:HOH618 4.2 31.0 1.0
CG2 P:THR260 4.4 19.0 0.5
CD P:PRO261 4.4 18.4 1.0
CG P:PRO261 4.5 21.9 1.0
C7 A:WQN305 4.6 33.3 1.0
CB A:ILE219 4.7 22.3 1.0
CB P:VAL263 4.8 55.3 1.0
O P:PRO261 4.9 21.8 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 12:58:04 2025

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