Magnesium in PDB 7juu: Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901

All present enzymatic activity of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901:
2.7.11.1; 2.7.12.2;

The structure of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901, PDB code: 7juu was solved by Z.M.Khan, A.C.Dar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.03 / 3.19
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	140.000, 140.000, 220.000, 90.00, 90.00, 120.00
R / Rfree (%)	24.1 / 25.8

The structure of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901 also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Iodine	(I)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901 (pdb code 7juu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901, PDB code: 7juu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1002 b:82.9 occ:1.00 O1B B:ANP1001 2.1 89.7 1.0 OD2 B:ASP803 2.2 0.6 1.0 OD1 B:ASN791 2.2 82.1 1.0 O1A B:ANP1001 2.4 79.1 1.0 O B:HOH1103 2.8 64.7 1.0 CG B:ASN791 2.9 83.4 1.0 ND2 B:ASN791 2.9 74.2 1.0 O B:HOH1101 3.0 72.8 1.0 O3G B:ANP1001 3.2 79.8 1.0 CG B:ASP803 3.3 85.6 1.0 PB B:ANP1001 3.4 90.3 1.0 PA B:ANP1001 3.6 78.8 1.0 O3A B:ANP1001 3.8 98.6 1.0 CB B:ASP803 3.8 74.8 1.0 CE B:LYS788 4.2 78.3 1.0 OD1 B:ASP803 4.3 87.2 1.0 NH2 B:ARG692 4.3 74.5 1.0 CB B:ASN791 4.4 71.9 1.0 O2B B:ANP1001 4.4 71.5 1.0 N3B B:ANP1001 4.5 70.9 1.0 PG B:ANP1001 4.5 0.0 1.0 O2A B:ANP1001 4.5 87.9 1.0 OD2 B:ASP786 4.5 84.7 1.0 NZ B:LYS788 4.6 88.7 1.0 O5' B:ANP1001 4.7 67.4 1.0 O B:LYS790 4.9 85.4 1.0 CA B:ASN791 5.0 76.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of KSR2:MEK1 in Complex with Amp-Pnp, and Allosteric Mek Inhibitor PD0325901 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg403 b:0.4 occ:1.00 O2A C:ANP401 1.8 0.6 1.0 OD2 C:ASP208 1.9 0.1 1.0 ND2 C:ASN195 1.9 0.0 1.0 O3G C:ANP401 3.0 0.8 1.0 CG C:ASN195 3.0 0.1 1.0 CG C:ASP208 3.1 0.3 1.0 PA C:ANP401 3.2 0.2 1.0 O2B C:ANP401 3.2 1.0 1.0 OD1 C:ASN195 3.4 0.3 1.0 O5' C:ANP401 3.6 0.1 1.0 CB C:ASP208 3.8 0.4 1.0 O1A C:ANP401 4.1 0.7 1.0 OD1 C:ASP208 4.1 0.8 1.0 O3A C:ANP401 4.1 0.3 1.0 NZ C:LYS97 4.1 0.3 1.0 PB C:ANP401 4.3 0.7 1.0 O C:SER194 4.3 0.7 1.0 CB C:ASN195 4.3 0.5 1.0 PG C:ANP401 4.5 0.4 1.0 CA C:ASN195 4.7 0.1 1.0 OG C:SER194 4.8 0.1 1.0 SG C:CYS207 4.9 0.5 1.0 C C:SER194 4.9 0.7 1.0 N3B C:ANP401 4.9 0.9 1.0

Z.M.Khan, A.M.Real, W.M.Marsiglia, A.Chow, M.E.Duffy, J.R.Yerabolu, A.P.Scopton, A.C.Dar. Structural Basis For the Action of the Drug Trametinib at Ksr-Bound Mek. Nature 2020.
ISSN: ESSN 1476-4687
PubMed: 32927473
DOI: 10.1038/S41586-020-2760-4