Magnesium in PDB 6pp9: Crystal Structure of Braf:MEK1 Complex

All present enzymatic activity of Crystal Structure of Braf:MEK1 Complex:
2.7.11.1; 2.7.12.2;

The structure of Crystal Structure of Braf:MEK1 Complex, PDB code: 6pp9 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)	43.65 / 2.59
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.697, 116.697, 130.944, 90.00, 90.00, 120.00
R / Rfree (%)	22.1 / 24.6

The structure of Crystal Structure of Braf:MEK1 Complex also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Iodine	(I)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Braf:MEK1 Complex (pdb code 6pp9). 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 Braf:MEK1 Complex, PDB code: 6pp9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Braf:MEK1 Complex


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 Braf:MEK1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:41.2 occ:1.00 OD2 A:ASP594 2.0 42.3 1.0 O1B A:ANP801 2.1 35.9 1.0 O1A A:ANP801 2.1 37.5 1.0 OD1 A:ASN581 2.1 43.9 1.0 O A:HOH920 2.1 41.6 1.0 O2G A:ANP801 2.3 37.8 1.0 CG A:ASP594 3.2 44.1 1.0 PA A:ANP801 3.3 37.9 1.0 CG A:ASN581 3.3 38.1 1.0 PB A:ANP801 3.4 33.6 1.0 PG A:ANP801 3.7 39.2 1.0 O3A A:ANP801 3.8 41.2 1.0 O5' A:ANP801 3.9 41.7 1.0 CB A:ASP594 4.0 34.8 1.0 NZ A:LYS483 4.1 44.8 1.0 O A:ASN580 4.1 40.1 1.0 OD1 A:ASP594 4.1 44.2 1.0 N3B A:ANP801 4.1 40.2 1.0 ND2 A:ASN581 4.1 43.3 1.0 C8 A:ANP801 4.3 43.2 1.0 CB A:ASN581 4.4 34.3 1.0 CA A:ASN581 4.4 40.6 1.0 O1G A:ANP801 4.5 34.4 1.0 O2B A:ANP801 4.5 42.5 1.0 C A:ASN580 4.6 38.8 1.0 O2A A:ANP801 4.6 45.5 1.0 N7 A:ANP801 4.7 44.8 1.0 N A:ASN581 4.7 34.5 1.0 O3G A:ANP801 4.7 43.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Braf:MEK1 Complex


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 Braf:MEK1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg802 b:51.7 occ:1.00 O2A B:ANP801 2.0 50.6 1.0 OD1 B:ASN195 2.0 44.6 1.0 O B:HOH901 2.0 44.0 1.0 O1B B:ANP801 2.0 38.9 1.0 OD2 B:ASP208 2.1 45.0 1.0 O B:HOH906 2.1 44.0 1.0 CG B:ASN195 3.0 41.5 1.0 CG B:ASP208 3.2 47.8 1.0 O1G B:ANP801 3.3 52.4 1.0 PA B:ANP801 3.4 40.1 1.0 PB B:ANP801 3.4 36.9 1.0 ND2 B:ASN195 3.4 41.3 1.0 O3A B:ANP801 3.8 50.2 1.0 O03 B:LCJ803 3.8 75.8 1.0 CB B:ASP208 3.9 39.5 1.0 NZ B:LYS97 4.0 56.5 1.0 O5' B:ANP801 4.1 41.2 1.0 OG B:SER194 4.1 41.2 1.0 OD1 B:ASP208 4.2 44.5 1.0 O B:SER194 4.3 35.9 1.0 CB B:ASN195 4.3 41.0 1.0 O2B B:ANP801 4.4 43.1 1.0 PG B:ANP801 4.4 44.4 1.0 N3B B:ANP801 4.5 45.9 1.0 O1A B:ANP801 4.5 51.0 1.0 O B:HOH916 4.5 52.8 1.0 CA B:ASN195 4.7 42.2 1.0 C B:SER194 4.7 38.8 1.0 N09 B:LCJ803 4.7 56.4 1.0 CE B:LYS192 4.7 46.5 1.0 N B:ASN195 4.8 42.3 1.0 C24 B:LCJ803 4.9 59.8 1.0 O05 B:LCJ803 4.9 70.1 1.0 CB B:SER194 5.0 31.0 1.0 SG B:CYS207 5.0 40.7 0.7

E.Park, S.Rawson, K.Li, B.W.Kim, S.B.Ficarro, G.G.Pino, H.Sharif, J.A.Marto, H.Jeon, M.J.Eck. Architecture of Autoinhibited and Active Braf-MEK1-14-3-3 Complexes. Nature V. 575 545 2019.
ISSN: ESSN 1476-4687
PubMed: 31581174
DOI: 10.1038/S41586-019-1660-Y