Iodine in PDB 6pp9: Crystal Structure of Braf:MEK1 Complex

All present enzymatic activity of Crystal Structure of Braf:MEK1 Complex:
2.7.11.1; 2.7.12.2;

The structure of Crystal Structure of Braf:MEK1 Complex, PDB code: 6pp9 was solved by K.Li, G.Gonzalez Del-Pino, E.Park, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.65 / 2.59
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.697, 116.697, 130.944, 90.00, 90.00, 120.00
R / Rfree (%)	22.1 / 24.6

The structure of Crystal Structure of Braf:MEK1 Complex also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Iodine atom in the Crystal Structure of Braf:MEK1 Complex (pdb code 6pp9). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Braf:MEK1 Complex, PDB code: 6pp9:

Iodine binding site 1 out of 1 in the Crystal Structure of Braf:MEK1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Braf:MEK1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:I803 b:54.9 occ:1.00 I01 B:LCJ803 0.0 54.9 1.0 C23 B:LCJ803 2.1 47.7 1.0 C21 B:LCJ803 3.0 40.6 1.0 C22 B:LCJ803 3.1 39.8 1.0 O B:VAL127 3.4 43.3 1.0 SG B:CYS207 3.7 42.5 0.3 CE1 B:PHE209 4.1 44.5 1.0 CZ B:PHE209 4.2 36.4 1.0 CB B:VAL127 4.2 47.7 1.0 CG1 B:VAL127 4.3 44.3 1.0 C B:VAL127 4.3 43.0 1.0 C19 B:LCJ803 4.4 42.5 1.0 C20 B:LCJ803 4.4 38.7 1.0 CD2 B:LEU118 4.4 38.6 1.0 O B:GLY128 4.4 46.7 1.0 CD1 B:LEU118 4.5 37.2 1.0 CA B:CYS207 4.6 41.7 0.7 CA B:CYS207 4.6 41.8 0.3 CB B:CYS207 4.6 43.8 0.7 CB B:CYS207 4.7 43.9 0.3 N B:ASP208 4.7 36.0 1.0 CA B:VAL127 4.7 44.6 1.0 SD B:MET143 4.7 55.4 1.0 C17 B:LCJ803 4.9 41.9 1.0 CB B:MET143 4.9 44.9 1.0 CD1 B:PHE209 5.0 39.6 1.0 N B:VAL127 5.0 41.8 1.0

E.Park, S.Rawson, K.Li, B.W.Kim, S.B.Ficarro, G.G.Pino, H.Sharif, J.A.Marto, H.Jeon, M.J.Eck. Architecture of Autoinhibited and Active Braf-MEK1-14-3-3 Complexes. Nature V. 575 545 2019.
ISSN: ESSN 1476-4687
PubMed: 31581174
DOI: 10.1038/S41586-019-1660-Y