Magnesium in PDB 7m0t: Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib

All present enzymatic activity of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib:
2.7.11.1; 2.7.12.2;

The structure of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib, PDB code: 7m0t was solved by K.Li, G.Gonzalez Del-Pino, B.H.Ha, E.Park, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.44 / 3.19
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.964, 116.964, 129.733, 90, 90, 120
R / Rfree (%)	19.7 / 25.4

The structure of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Fluorine	(F)	1 atom
Bromine	(Br)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib (pdb code 7m0t). 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 the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib, PDB code: 7m0t:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib


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 the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:99.3 occ:1.00 OD1 B:ASN195 2.3 98.8 1.0 OD2 B:ASP208 2.4 111.0 1.0 O1B B:ANP402 2.6 113.1 0.9 O2A B:ANP402 2.7 107.2 0.9 CG B:ASP208 3.1 111.0 1.0 CG B:ASN195 3.4 91.0 1.0 O1G B:ANP402 3.4 120.4 0.9 CB B:ASP208 3.5 109.0 1.0 O2 B:3EW401 3.5 122.5 0.8 ND2 B:ASN195 3.8 94.6 1.0 C15 B:3EW401 3.9 123.9 0.8 PB B:ANP402 3.9 117.7 0.9 PA B:ANP402 4.0 111.3 0.9 OD1 B:ASP208 4.1 109.5 1.0 CE B:LYS192 4.3 99.7 1.0 O B:SER194 4.3 77.5 1.0 N2 B:3EW401 4.3 117.4 0.8 O3A B:ANP402 4.3 115.3 0.9 NZ B:LYS97 4.3 109.9 1.0 PG B:ANP402 4.4 127.4 0.9 C16 B:3EW401 4.5 122.8 0.8 OD2 B:ASP190 4.6 117.9 1.0 N3B B:ANP402 4.6 115.9 0.9 O1A B:ANP402 4.7 113.5 0.9 CB B:ASN195 4.7 80.9 1.0 O3G B:ANP402 4.8 130.2 0.9 C B:SER194 4.9 74.6 1.0 NZ B:LYS192 4.9 109.1 1.0 CA B:ASN195 5.0 81.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib


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 the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:79.4 occ:1.00 O1B A:ANP801 2.1 81.5 1.0 OD1 A:ASN581 2.3 75.4 1.0 OD2 A:ASP594 2.4 83.8 1.0 O1A A:ANP801 2.8 89.7 1.0 O2G A:ANP801 3.2 85.5 1.0 O A:ASN580 3.3 79.5 1.0 CG A:ASN581 3.5 74.8 1.0 PB A:ANP801 3.5 85.9 1.0 CG A:ASP594 3.7 84.2 1.0 C8 A:ANP801 3.8 94.2 1.0 PA A:ANP801 3.9 95.2 1.0 CA A:ASN581 3.9 69.9 1.0 C A:ASN580 4.0 74.9 1.0 O3A A:ANP801 4.1 95.3 1.0 N7 A:ANP801 4.2 89.8 1.0 CB A:ASN581 4.2 67.2 1.0 N A:ASN581 4.3 72.0 1.0 O2B A:ANP801 4.3 81.2 1.0 O5' A:ANP801 4.3 93.2 1.0 CB A:ASP594 4.5 79.5 1.0 ND2 A:ASN581 4.5 78.5 1.0 CZ A:PHE583 4.5 83.9 1.0 OD1 A:ASP594 4.5 91.0 1.0 CE1 A:PHE583 4.5 80.0 1.0 C2' A:ANP801 4.6 89.3 1.0 PG A:ANP801 4.6 91.1 1.0 N3B A:ANP801 4.6 91.5 1.0 N9 A:ANP801 4.7 93.9 1.0 CB A:ASN580 4.9 79.6 1.0

K.Li, G.Gonzalez Del-Pino, B.H.Ha, E.Park, M.J.Eck. Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib To Be Published.