Iodine in PDB 7umb: Nanobret Tracer Tram-Bo Bound to A KSR2-MEK1 Complex

All present enzymatic activity of Nanobret Tracer Tram-Bo Bound to A KSR2-MEK1 Complex:
2.7.11.1;

The structure of Nanobret Tracer Tram-Bo Bound to A KSR2-MEK1 Complex, PDB code: 7umb was solved by W.M.Marsiglia, K.M.Khan, A.C.Dar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.71 / 3.23
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	139.5, 139.5, 220, 90, 90, 120
R / Rfree (%)	22.9 / 26.8

The structure of Nanobret Tracer Tram-Bo Bound to A KSR2-MEK1 Complex also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Iodine atom in the Nanobret Tracer Tram-Bo Bound to A KSR2-MEK1 Complex (pdb code 7umb). 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 Nanobret Tracer Tram-Bo Bound to A KSR2-MEK1 Complex, PDB code: 7umb:

Iodine binding site 1 out of 1 in the Nanobret Tracer Tram-Bo Bound to A KSR2-MEK1 Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Nanobret Tracer Tram-Bo Bound to A KSR2-MEK1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:I402 b:369.2 occ:1.00 I13 C:U9F402 0.0 369.2 1.0 C12 C:U9F402 2.1 175.9 1.0 C14 C:U9F402 3.1 171.2 1.0 C11 C:U9F402 3.1 162.8 1.0 CG1 C:VAL127 3.4 176.6 1.0 CD2 C:LEU118 3.6 155.3 1.0 O C:VAL127 3.6 175.5 1.0 CE1 C:PHE209 4.0 150.5 1.0 CZ C:PHE209 4.4 152.6 1.0 CB C:CYS207 4.4 152.2 1.0 C10 C:U9F402 4.4 150.9 1.0 C15 C:U9F402 4.4 155.3 1.0 C C:VAL127 4.5 171.5 1.0 CA C:CYS207 4.5 150.4 1.0 N C:ASP208 4.5 148.3 1.0 CB C:VAL127 4.7 167.3 1.0 CD1 C:PHE209 4.8 141.6 1.0 CB C:MET143 4.9 173.9 1.0 SD C:MET143 5.0 174.8 1.0 CA C:VAL127 5.0 168.2 1.0 CG C:LEU118 5.0 152.7 1.0

W.M.Marsiglia, Z.M.Khan, A.C.Dar. Live Cell Target Engagement Reveals the Distinct Pharmacology of Allosteric Mek Inhibitors on Macromolecular Mek-Raf/Ksr-14-3-3 Complexes To Be Published.