Magnesium in PDB 6v32: 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: 6v32 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)	43.44 / 3.19
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.964, 116.964, 129.733, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 23

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

Fluorine	(F)	1 atom
Bromine	(Br)	1 atom
Chlorine	(Cl)	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 6v32). 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: 6v32:
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:0.3 occ:1.00 OD2 B:ASP208 2.1 0.7 1.0 OD1 B:ASN195 2.1 0.7 1.0 O1B B:ANP402 2.2 0.5 0.9 O2A B:ANP402 2.3 0.1 0.9 CG B:ASP208 3.0 0.9 1.0 CG B:ASN195 3.3 93.2 1.0 O2 B:3EW401 3.5 0.4 0.8 CB B:ASP208 3.6 0.8 1.0 PB B:ANP402 3.6 0.2 0.9 O1G B:ANP402 3.7 0.9 0.9 PA B:ANP402 3.7 0.6 0.9 ND2 B:ASN195 3.8 0.6 1.0 OD1 B:ASP208 4.0 0.5 1.0 O B:SER194 4.0 87.7 1.0 NZ B:LYS97 4.0 0.3 1.0 O3A B:ANP402 4.1 0.3 0.9 C15 B:3EW401 4.3 0.9 0.8 CE B:LYS192 4.4 0.8 1.0 N2 B:3EW401 4.4 0.9 0.8 O2B B:ANP402 4.5 0.1 0.9 CB B:ASN195 4.5 80.4 1.0 C B:SER194 4.5 63.0 1.0 O1A B:ANP402 4.5 0.9 0.9 C16 B:3EW401 4.6 0.1 0.8 PG B:ANP402 4.6 0.4 0.9 N3B B:ANP402 4.6 0.1 0.9 OG B:SER194 4.6 92.1 1.0 CA B:ASN195 4.7 83.3 1.0 O5' B:ANP402 4.8 0.6 0.9 N B:ASN195 4.8 72.3 1.0 OD2 B:ASP190 4.9 0.3 1.0 CB B:SER194 4.9 86.8 1.0 O3G B:ANP402 4.9 0.3 0.9

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:86.6 occ:1.00 O1B A:ANP801 2.2 71.5 1.0 OD1 A:ASN581 2.4 64.5 1.0 OD2 A:ASP594 2.4 82.5 1.0 O1A A:ANP801 2.7 93.5 1.0 O2G A:ANP801 3.1 90.7 1.0 O A:ASN580 3.5 71.6 1.0 CG A:ASN581 3.5 75.8 1.0 C8 A:ANP801 3.6 96.6 1.0 CG A:ASP594 3.6 82.4 1.0 PB A:ANP801 3.7 87.2 1.0 PA A:ANP801 3.7 93.2 1.0 O5' A:ANP801 3.9 89.3 1.0 CA A:ASN581 4.0 71.2 1.0 N7 A:ANP801 4.0 93.3 1.0 C A:ASN580 4.1 70.3 1.0 O3A A:ANP801 4.2 93.4 1.0 CB A:ASN581 4.3 65.0 1.0 N A:ASN581 4.4 69.9 1.0 CE1 A:PHE583 4.4 83.3 1.0 CZ A:PHE583 4.4 85.7 1.0 OD1 A:ASP594 4.5 90.5 1.0 PG A:ANP801 4.5 84.8 1.0 CB A:ASP594 4.5 79.6 1.0 C2' A:ANP801 4.5 91.8 1.0 O2B A:ANP801 4.5 71.8 1.0 N9 A:ANP801 4.6 95.1 1.0 ND2 A:ASN581 4.6 79.6 1.0 N3B A:ANP801 4.7 84.9 1.0 NZ A:LYS483 5.0 96.1 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 Selumetinib To Be Published.