Magnesium in PDB 6v2x: 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: 6v2x was solved by K.Li, G.Gonzalez Del-Pino, 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, 129.620, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 22.2

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

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

The binding sites of Magnesium atom in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib (pdb code 6v2x). 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: 6v2x:
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:84.6 occ:1.00 O1B A:ANP801 2.3 71.0 1.0 OD1 A:ASN581 2.4 73.7 1.0 OD2 A:ASP594 2.5 99.1 1.0 O1A A:ANP801 2.6 77.6 1.0 O2G A:ANP801 3.0 72.5 1.0 O A:ASN580 3.5 72.7 1.0 CG A:ASN581 3.6 74.8 1.0 PA A:ANP801 3.7 77.0 1.0 CG A:ASP594 3.7 99.6 1.0 PB A:ANP801 3.7 71.9 1.0 C8 A:ANP801 3.7 81.3 1.0 O5' A:ANP801 3.8 72.8 1.0 CA A:ASN581 4.0 73.5 1.0 N7 A:ANP801 4.1 86.7 1.0 O3A A:ANP801 4.1 86.7 1.0 C A:ASN580 4.1 74.5 1.0 CB A:ASN581 4.3 72.8 1.0 N A:ASN581 4.4 72.9 1.0 PG A:ANP801 4.4 77.2 1.0 CE1 A:PHE583 4.5 97.3 1.0 CB A:ASP594 4.5 88.3 1.0 C2' A:ANP801 4.5 77.2 1.0 CZ A:PHE583 4.5 88.5 1.0 OD1 A:ASP594 4.5 0.8 1.0 N3B A:ANP801 4.6 79.5 1.0 ND2 A:ASN581 4.6 76.5 1.0 O2B A:ANP801 4.6 70.5 1.0 N9 A:ANP801 4.7 78.0 1.0 NZ A:LYS483 4.9 91.3 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:95.2 occ:1.00 O2A B:ANP502 2.0 0.4 1.0 O B:HOH602 2.1 99.8 1.0 OD2 B:ASP208 2.1 1.0 1.0 OD1 B:ASN195 2.2 83.6 1.0 O1B B:ANP502 2.3 0.5 1.0 CG B:ASP208 3.1 0.6 1.0 PA B:ANP502 3.4 0.6 1.0 CG B:ASN195 3.4 73.9 1.0 PB B:ANP502 3.5 0.1 1.0 O3A B:ANP502 3.6 0.3 1.0 NZ B:LYS97 3.7 0.6 1.0 O B:HOH601 3.7 0.1 1.0 CB B:ASP208 3.7 94.6 1.0 O B:SER194 4.0 91.3 1.0 OD1 B:ASP208 4.1 0.8 1.0 ND2 B:ASN195 4.2 63.1 1.0 O1G B:ANP502 4.2 0.1 1.0 O1A B:ANP502 4.3 0.4 1.0 O2B B:ANP502 4.3 97.5 1.0 C B:SER194 4.5 75.6 1.0 O5' B:ANP502 4.5 91.1 1.0 CB B:ASN195 4.5 82.3 1.0 CA B:ASN195 4.6 77.4 1.0 C26 B:QO7501 4.6 0.3 1.0 CB B:SER194 4.7 94.5 1.0 N3B B:ANP502 4.8 0.2 1.0 N B:ASN195 4.8 75.9 1.0 O27 B:QO7501 4.9 0.0 1.0 C5' B:ANP502 4.9 78.5 1.0 N23 B:QO7501 4.9 0.7 1.0 PG B:ANP502 5.0 0.3 1.0

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