Magnesium in PDB 7m0y: Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Trametinib

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

The structure of Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Trametinib, PDB code: 7m0y 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)	47.08 / 3.45
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.716, 116.716, 129.483, 90, 90, 120
R / Rfree (%)	19.5 / 21.8

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

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

The binding sites of Magnesium atom in the Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Trametinib (pdb code 7m0y). 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 Trametinib, PDB code: 7m0y:
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 Trametinib


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 Trametinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:59.9 occ:1.00 O1B A:ANP801 2.1 54.3 1.0 OD1 A:ASN581 2.2 56.0 1.0 OD2 A:ASP594 2.5 64.2 1.0 O1A A:ANP801 2.6 56.7 1.0 O2G A:ANP801 2.9 52.0 1.0 CG A:ASN581 3.4 59.3 1.0 O A:ASN580 3.4 60.3 1.0 PB A:ANP801 3.6 64.0 1.0 CG A:ASP594 3.7 63.0 1.0 PA A:ANP801 3.8 58.7 1.0 CA A:ASN581 3.9 49.6 1.0 C8 A:ANP801 3.9 70.2 1.0 C A:ASN580 4.0 57.9 1.0 O5' A:ANP801 4.0 59.3 1.0 CB A:ASN581 4.1 48.1 1.0 O3A A:ANP801 4.2 67.6 1.0 N A:ASN581 4.2 54.6 1.0 PG A:ANP801 4.3 55.9 1.0 N7 A:ANP801 4.3 62.5 1.0 ND2 A:ASN581 4.4 67.5 1.0 CB A:ASP594 4.4 59.2 1.0 CE2 A:PHE583 4.4 59.3 1.0 CZ A:PHE583 4.4 60.9 1.0 O2B A:ANP801 4.5 52.9 1.0 N3B A:ANP801 4.5 64.5 1.0 C2' A:ANP801 4.6 59.5 1.0 OD1 A:ASP594 4.6 65.0 1.0 N9 A:ANP801 4.8 68.1 1.0 CB A:ASN580 4.9 60.2 1.0 O1G A:ANP801 5.0 57.3 1.0

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


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 Trametinib within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:67.8 occ:1.00 O2A B:ANP401 2.1 76.3 1.0 OD1 B:ASN195 2.1 73.2 1.0 O1B B:ANP401 2.2 80.2 1.0 OD1 B:ASP208 2.3 77.2 1.0 CG B:ASP208 2.9 80.6 1.0 O2G B:ANP401 3.2 88.7 1.0 CG B:ASN195 3.3 68.4 1.0 CB B:ASP208 3.4 70.5 1.0 PA B:ANP401 3.4 86.4 1.0 PB B:ANP401 3.5 90.5 1.0 OD2 B:ASP208 3.7 80.1 1.0 O3A B:ANP401 3.8 92.2 1.0 ND2 B:ASN195 3.9 73.5 1.0 C35 B:QOM404 4.1 88.6 1.0 PG B:ANP401 4.2 103.5 1.0 O1A B:ANP401 4.3 82.8 1.0 NZ B:LYS97 4.3 73.1 1.0 O B:SER194 4.3 65.3 1.0 N3B B:ANP401 4.4 88.9 1.0 CB B:ASN195 4.5 58.0 1.0 O5' B:ANP401 4.6 76.5 1.0 OG B:SER194 4.7 70.8 1.0 C B:SER194 4.7 59.2 1.0 CA B:ASN195 4.7 62.8 1.0 O2B B:ANP401 4.7 80.4 1.0 O3G B:ANP401 4.7 105.8 1.0 C37 B:QOM404 4.8 84.0 1.0 OD2 B:ASP190 4.8 78.2 1.0 CA B:ASP208 4.9 66.7 1.0 C36 B:QOM404 4.9 83.9 1.0 N B:ASN195 4.9 64.2 1.0 CE B:LYS192 4.9 78.0 1.0 CB B:SER194 5.0 68.8 1.0 N21 B:QOM404 5.0 80.2 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.