Magnesium in PDB 7m0w: Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib

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

The structure of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib, PDB code: 7m0w 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)	43.55 / 3.09
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	117.334, 117.334, 130.004, 90, 90, 120
R / Rfree (%)	19.5 / 23.3

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

Fluorine	(F)	1 atom
Iodine	(I)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib (pdb code 7m0w). 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 Pimasertib, PDB code: 7m0w:
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 Pimasertib


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 Pimasertib within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg802 b:90.5 occ:1.00 OD1 B:ASN195 2.3 90.6 1.0 OD2 B:ASP208 2.4 99.7 1.0 O1B B:ANP801 2.5 95.2 0.8 O2A B:ANP801 2.6 95.1 0.8 O1G B:ANP801 3.2 101.7 0.8 CG B:ASP208 3.3 90.5 1.0 CG B:ASN195 3.3 82.7 1.0 O22 B:QOA803 3.3 101.6 1.0 ND2 B:ASN195 3.6 77.4 1.0 PA B:ANP801 3.7 107.5 0.8 CB B:ASP208 3.7 78.4 1.0 PB B:ANP801 3.8 106.1 0.8 NZ B:LYS97 4.0 104.2 1.0 O3A B:ANP801 4.0 104.8 0.8 O1A B:ANP801 4.0 89.5 0.8 OD1 B:ASP208 4.3 88.9 1.0 PG B:ANP801 4.3 110.9 0.8 C21 B:QOA803 4.4 96.1 1.0 CE B:LYS192 4.5 86.8 1.0 OD2 B:ASP190 4.5 92.5 1.0 N3B B:ANP801 4.5 93.9 0.8 C19 B:QOA803 4.6 80.7 1.0 O B:SER194 4.6 81.9 1.0 CB B:ASN195 4.7 76.7 1.0 OG B:SER194 4.8 79.7 1.0 O3G B:ANP801 4.9 104.7 0.8 O2B B:ANP801 5.0 84.7 0.8 NZ B:LYS192 5.0 84.3 1.0

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


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 Pimasertib within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:69.2 occ:1.00 O1B A:ANP801 1.9 72.2 1.0 OD1 A:ASN581 2.1 71.9 1.0 OD2 A:ASP594 2.4 71.6 1.0 O2G A:ANP801 2.6 71.3 1.0 O1A A:ANP801 2.7 73.8 1.0 CG A:ASN581 3.3 68.2 1.0 O A:ASN580 3.3 69.8 1.0 PB A:ANP801 3.4 71.0 1.0 PA A:ANP801 3.6 77.8 1.0 CG A:ASP594 3.6 74.0 1.0 O3A A:ANP801 3.9 76.6 1.0 C A:ASN580 4.0 67.9 1.0 CA A:ASN581 4.0 68.2 1.0 PG A:ANP801 4.0 72.0 1.0 O5' A:ANP801 4.0 74.7 1.0 C8 A:ANP801 4.1 81.5 1.0 CB A:ASN581 4.2 68.5 1.0 ND2 A:ASN581 4.2 69.2 1.0 N A:ASN581 4.3 65.9 1.0 N3B A:ANP801 4.3 77.4 1.0 O2B A:ANP801 4.4 75.8 1.0 CB A:ASP594 4.4 72.4 1.0 N7 A:ANP801 4.5 76.1 1.0 OD1 A:ASP594 4.6 79.9 1.0 CE1 A:PHE583 4.7 75.0 1.0 CB A:ASN580 4.7 66.6 1.0 CZ A:PHE583 4.7 73.8 1.0 C2' A:ANP801 4.8 75.7 1.0 NZ A:LYS483 4.8 78.3 1.0 O1G A:ANP801 4.9 76.3 1.0 O2A A:ANP801 5.0 75.0 1.0 CA A:ASN580 5.0 67.0 1.0 N9 A:ANP801 5.0 76.8 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 Pimasertib To Be Published.