Magnesium in PDB 7m0u: Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib

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

The structure of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib, PDB code: 7m0u 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)	43.21 / 3.09
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.722, 115.722, 129.62, 90, 90, 120
R / Rfree (%)	19.1 / 23

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

Bromine	(Br)	1 atom
Fluorine	(F)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib (pdb code 7m0u). 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 Binimetinib, PDB code: 7m0u:
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 Binimetinib


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 Binimetinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:72.3 occ:1.00 OD1 A:ASN581 2.4 71.0 1.0 O1B A:ANP801 2.4 63.9 1.0 OD2 A:ASP594 2.6 73.6 1.0 O1A A:ANP801 2.6 72.2 1.0 O2G A:ANP801 3.2 65.7 1.0 O A:ASN580 3.4 66.2 1.0 CG A:ASN581 3.5 69.3 1.0 C8 A:ANP801 3.6 76.7 1.0 CG A:ASP594 3.7 75.3 1.0 PA A:ANP801 3.8 77.1 1.0 PB A:ANP801 3.8 86.1 1.0 CA A:ASN581 3.9 63.6 1.0 O5' A:ANP801 4.0 76.8 1.0 N7 A:ANP801 4.0 75.1 1.0 C A:ASN580 4.1 67.7 1.0 CB A:ASN581 4.2 60.4 1.0 O3A A:ANP801 4.3 79.6 1.0 N A:ASN581 4.3 65.1 1.0 CE1 A:PHE583 4.3 73.4 1.0 CZ A:PHE583 4.4 71.7 1.0 C2' A:ANP801 4.5 73.4 1.0 OD1 A:ASP594 4.5 80.0 1.0 ND2 A:ASN581 4.6 67.7 1.0 CB A:ASP594 4.6 71.7 1.0 N9 A:ANP801 4.6 76.0 1.0 PG A:ANP801 4.6 75.0 1.0 O2B A:ANP801 4.7 63.7 1.0 N3B A:ANP801 4.8 77.8 1.0

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


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 Binimetinib within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg503 b:78.8 occ:1.00 O2A B:ANP502 1.9 92.4 1.0 OD2 B:ASP208 2.0 88.9 1.0 O B:HOH602 2.1 82.0 1.0 OD1 B:ASN195 2.2 78.2 1.0 O1B B:ANP502 2.4 93.0 1.0 CG B:ASP208 3.2 84.7 1.0 PA B:ANP502 3.3 89.5 1.0 CG B:ASN195 3.4 72.0 1.0 O B:HOH601 3.4 73.0 1.0 PB B:ANP502 3.6 94.2 1.0 O3A B:ANP502 3.6 105.7 1.0 O B:SER194 3.7 71.8 1.0 NZ B:LYS97 3.8 87.8 1.0 CB B:ASP208 3.9 78.8 1.0 OD1 B:ASP208 4.2 86.4 1.0 O1A B:ANP502 4.2 90.7 1.0 ND2 B:ASN195 4.2 79.5 1.0 O1G B:ANP502 4.2 94.3 1.0 C B:SER194 4.3 65.5 1.0 O5' B:ANP502 4.4 87.6 1.0 O24 B:QO7501 4.5 105.3 1.0 O2B B:ANP502 4.5 92.1 1.0 CB B:ASN195 4.5 73.9 1.0 CB B:SER194 4.5 73.7 1.0 CA B:ASN195 4.5 67.2 1.0 N B:ASN195 4.7 66.7 1.0 N3B B:ANP502 4.8 99.6 1.0 C5' B:ANP502 4.9 89.4 1.0 PG B:ANP502 5.0 105.7 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 Binimetinib To Be Published.