Magnesium in PDB 7juw: Crystal Structure of KSR1:MEK1 in Complex with Amp-Pnp

All present enzymatic activity of Crystal Structure of KSR1:MEK1 in Complex with Amp-Pnp:
2.7.11.1; 2.7.12.2;

The structure of Crystal Structure of KSR1:MEK1 in Complex with Amp-Pnp, PDB code: 7juw 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)	46.17 / 2.88
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	137.710, 137.710, 218.910, 90.00, 90.00, 120.00
R / Rfree (%)	24.3 / 28.6

The binding sites of Magnesium atom in the Crystal Structure of KSR1:MEK1 in Complex with Amp-Pnp (pdb code 7juw). 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 KSR1:MEK1 in Complex with Amp-Pnp, PDB code: 7juw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of KSR1:MEK1 in Complex with Amp-Pnp


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 KSR1:MEK1 in Complex with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg902 b:89.9 occ:1.00 O1A B:ANP901 2.3 93.6 1.0 O2G B:ANP901 2.4 0.9 1.0 O1B B:ANP901 2.5 98.5 1.0 OD2 B:ASP750 3.0 83.3 1.0 O B:HOH1001 3.1 89.7 1.0 OD1 B:ASN738 3.3 68.1 1.0 ND2 B:ASN738 3.4 69.4 1.0 OD2 B:ASP733 3.5 77.4 1.0 PA B:ANP901 3.6 0.7 1.0 PB B:ANP901 3.6 0.4 1.0 CG B:ASP750 3.7 79.9 1.0 PG B:ANP901 3.7 0.7 1.0 CG B:ASN738 3.7 68.6 1.0 O3A B:ANP901 3.9 0.9 1.0 CB B:ASP750 4.0 74.4 1.0 N3B B:ANP901 4.0 0.2 1.0 NZ B:LYS735 4.1 78.2 1.0 O3G B:ANP901 4.3 0.9 1.0 O5' B:ANP901 4.4 82.3 1.0 CE B:LYS735 4.4 61.4 1.0 OD1 B:ASP750 4.6 78.8 1.0 CG B:ASP733 4.7 70.6 1.0 O2A B:ANP901 4.7 85.6 1.0 NH2 B:ARG639 4.7 75.4 1.0 O1G B:ANP901 4.9 0.4 1.0 O2B B:ANP901 5.0 0.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of KSR1:MEK1 in Complex with Amp-Pnp


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 KSR1:MEK1 in Complex with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg402 b:0.5 occ:1.00 O1A C:ANP401 2.1 0.1 1.0 ND2 C:ASN195 2.2 0.5 1.0 OD2 C:ASP208 2.7 0.6 1.0 O3G C:ANP401 2.8 0.8 1.0 SG C:CYS207 3.1 1.0 1.0 O1B C:ANP401 3.1 0.3 1.0 CG C:ASP208 3.2 0.7 1.0 CG C:ASN195 3.2 0.3 1.0 PA C:ANP401 3.5 0.8 1.0 O C:SER194 3.5 0.8 1.0 CB C:ASP208 3.8 0.6 1.0 OD1 C:ASN195 3.8 0.5 1.0 O5' C:ANP401 3.9 0.0 1.0 OD1 C:ASP208 3.9 0.2 1.0 CA C:ASN195 4.1 0.6 1.0 CB C:ASN195 4.2 0.1 1.0 PB C:ANP401 4.3 0.4 1.0 PG C:ANP401 4.3 0.1 1.0 C8 C:ANP401 4.3 0.9 1.0 C C:SER194 4.4 1.0 1.0 O3A C:ANP401 4.4 0.8 1.0 NZ C:LYS97 4.5 0.9 1.0 CB C:CYS207 4.5 0.5 1.0 O2A C:ANP401 4.6 0.3 1.0 N C:ASN195 4.6 99.0 1.0 O C:CYS207 4.7 0.9 1.0 C C:CYS207 4.7 0.1 1.0 O1G C:ANP401 4.8 0.4 1.0 OG C:SER194 4.8 0.9 1.0 N7 C:ANP401 4.8 0.5 1.0 N C:ASP208 4.9 0.1 1.0 N3B C:ANP401 5.0 0.3 1.0 CA C:ASP208 5.0 0.1 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