Magnesium in PDB 7m0v: Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Cobimetinib

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

The structure of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Cobimetinib, PDB code: 7m0v 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)	43.30 / 3.16
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.144, 116.144, 129.886, 90, 90, 120
R / Rfree (%)	18.6 / 23.4

The structure of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Cobimetinib 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 the Braf:MEK1 Kinases in Complex with Amppnp and Cobimetinib (pdb code 7m0v). 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 Cobimetinib, PDB code: 7m0v:
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 Cobimetinib


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 Cobimetinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:93.8 occ:1.00 ND2 A:ASN581 2.1 91.0 1.0 O1B A:ANP801 2.5 100.5 1.0 OD2 A:ASP594 2.8 91.3 1.0 O1A A:ANP801 2.8 101.2 1.0 O A:ASN580 3.1 86.9 1.0 O2G A:ANP801 3.2 94.0 1.0 CG A:ASN581 3.4 87.0 1.0 CA A:ASN581 3.7 82.2 1.0 C8 A:ANP801 3.8 104.1 1.0 C A:ASN580 3.8 82.6 1.0 CG A:ASP594 3.9 90.3 1.0 CZ A:PHE583 4.0 94.6 1.0 PB A:ANP801 4.0 97.8 1.0 CB A:ASN581 4.0 81.7 1.0 CE1 A:PHE583 4.0 89.4 1.0 N A:ASN581 4.1 82.1 1.0 PA A:ANP801 4.1 108.0 1.0 N7 A:ANP801 4.1 99.2 1.0 OD1 A:ASN581 4.3 89.9 1.0 O3A A:ANP801 4.5 111.2 1.0 O5' A:ANP801 4.6 104.1 1.0 CB A:ASP594 4.6 89.9 1.0 PG A:ANP801 4.7 100.5 1.0 OD1 A:ASP594 4.7 88.4 1.0 N9 A:ANP801 4.7 107.1 1.0 CB A:ASN580 4.8 89.3 1.0 C2' A:ANP801 4.8 107.2 1.0 O2B A:ANP801 4.9 90.4 1.0 N3B A:ANP801 4.9 108.1 1.0 CA A:ASN580 4.9 82.4 1.0 C A:ASN581 5.0 84.0 1.0

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


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 Cobimetinib within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg802 b:110.7 occ:1.00 OD2 B:ASP208 2.2 109.2 1.0 O1B B:ANP801 2.5 110.6 0.8 O2A B:ANP801 2.5 117.2 0.8 OD1 B:ASN195 2.7 85.2 1.0 CG B:ASP208 2.8 96.2 1.0 O1G B:ANP801 3.3 101.5 0.8 O B:SER194 3.4 84.2 1.0 OD1 B:ASP208 3.6 96.5 1.0 PA B:ANP801 3.6 125.6 0.8 PB B:ANP801 3.6 124.1 0.8 CB B:ASP208 3.6 88.6 1.0 O3A B:ANP801 3.7 125.3 0.8 NZ B:LYS97 3.8 104.9 1.0 CG B:ASN195 3.9 84.6 1.0 O24 B:EUI803 4.2 103.3 1.0 N3B B:ANP801 4.3 132.3 0.8 C B:SER194 4.4 78.4 1.0 PG B:ANP801 4.4 114.8 0.8 SG B:CYS207 4.4 88.2 0.6 O1A B:ANP801 4.5 118.8 0.8 CA B:ASN195 4.5 78.4 1.0 O5' B:ANP801 4.7 113.7 0.8 C8 B:ANP801 4.8 103.6 0.8 CB B:ASN195 4.8 78.9 1.0 N B:ASN195 4.9 75.8 1.0 ND2 B:ASN195 4.9 87.4 1.0 C21 B:EUI803 4.9 102.3 1.0 O2B B:ANP801 4.9 113.0 0.8 CE B:LYS97 5.0 99.7 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 Cobimetinib To Be Published.