Magnesium in PDB 6quv: Crystal Structure of Kras-G12D in Complex with Gmp-Pcp and Compound 15R

The structure of Crystal Structure of Kras-G12D in Complex with Gmp-Pcp and Compound 15R, PDB code: 6quv was solved by G.Fischer, D.Kessler, B.Muellauer, B.Wolkerstorfer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.98 / 1.48
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.440, 72.203, 54.611, 90.00, 103.23, 90.00
R / Rfree (%)	19.3 / 20.8

The binding sites of Magnesium atom in the Crystal Structure of Kras-G12D in Complex with Gmp-Pcp and Compound 15R (pdb code 6quv). 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 Kras-G12D in Complex with Gmp-Pcp and Compound 15R, PDB code: 6quv:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Kras-G12D in Complex with Gmp-Pcp and Compound 15R


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 Kras-G12D in Complex with Gmp-Pcp and Compound 15R within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:14.7 occ:1.00 O1G A:GCP201 2.0 16.7 1.0 OG A:SER17 2.1 13.3 1.0 O2B A:GCP201 2.1 13.4 1.0 O A:HOH313 2.1 17.0 1.0 OG1 A:THR35 2.1 14.5 1.0 O A:HOH305 2.1 14.2 1.0 CB A:THR35 3.1 14.5 1.0 CB A:SER17 3.2 14.0 1.0 PG A:GCP201 3.2 16.4 1.0 PB A:GCP201 3.3 14.2 1.0 C3B A:GCP201 3.5 15.9 1.0 N A:THR35 3.8 17.6 1.0 N A:SER17 3.8 11.1 1.0 CA A:SER17 4.1 11.6 1.0 CA A:THR35 4.1 16.2 1.0 O2A A:GCP201 4.1 14.5 1.0 CG2 A:THR35 4.1 15.9 1.0 O2G A:GCP201 4.2 16.3 1.0 OD2 A:ASP57 4.2 17.0 1.0 OD1 A:ASP57 4.2 13.8 1.0 O A:HOH309 4.3 28.8 1.0 O3G A:GCP201 4.3 16.9 1.0 O1B A:GCP201 4.3 13.5 1.0 O3A A:GCP201 4.4 13.8 1.0 O A:ASP33 4.4 22.6 1.0 O A:THR58 4.5 15.2 1.0 CG A:ASP57 4.6 14.8 1.0 PA A:GCP201 4.6 16.4 1.0 O1A A:GCP201 4.7 14.6 1.0 C A:PRO34 4.8 23.1 1.0 CB A:LYS16 4.8 12.2 1.0 C A:LYS16 4.9 12.4 1.0 CE A:LYS16 4.9 11.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Kras-G12D in Complex with Gmp-Pcp and Compound 15R


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 Kras-G12D in Complex with Gmp-Pcp and Compound 15R within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg203 b:15.2 occ:1.00 O1G B:GCP202 2.0 16.4 1.0 OG B:SER17 2.0 17.5 1.0 O B:HOH305 2.1 11.4 1.0 OG1 B:THR35 2.1 12.9 1.0 O B:HOH320 2.1 16.4 1.0 O2B B:GCP202 2.1 15.7 1.0 CB B:THR35 3.1 15.8 1.0 CB B:SER17 3.1 14.8 1.0 PG B:GCP202 3.2 18.2 1.0 PB B:GCP202 3.3 16.5 1.0 C3B B:GCP202 3.5 19.3 1.0 N B:SER17 3.8 14.8 1.0 N B:THR35 3.9 18.2 1.0 CA B:SER17 4.1 14.2 1.0 OD2 B:ASP57 4.1 17.2 1.0 OD1 B:ASP57 4.1 14.3 1.0 CA B:THR35 4.1 15.9 1.0 O2A B:GCP202 4.1 18.5 1.0 CG2 B:THR35 4.1 14.0 1.0 O2G B:GCP202 4.2 16.0 1.0 O B:HOH308 4.2 27.1 1.0 O3A B:GCP202 4.4 17.6 1.0 O B:ASP33 4.4 23.2 1.0 O3G B:GCP202 4.4 15.8 1.0 O1B B:GCP202 4.4 16.1 1.0 O B:THR58 4.4 16.0 1.0 CG B:ASP57 4.5 16.6 1.0 PA B:GCP202 4.6 19.4 1.0 O1A B:GCP202 4.7 17.5 1.0 CB B:LYS16 4.7 13.2 1.0 CE B:LYS16 4.8 12.4 1.0 C B:PRO34 4.9 23.2 1.0 C B:LYS16 4.9 15.6 1.0

A.Bergner, X.Cockcroft, G.Fischer, A.Gollner, W.Hela, R.Kousek, A.Mantoulidis, L.J.Martin, M.Mayer, B.Mullauer, G.Siszler, B.Wolkerstorfer, D.Kessler, D.B.Mcconnell. Kras Binders Hidden in Nature. Chemistry V. 25 12037 2019.
ISSN: ISSN 0947-6539
PubMed: 31231840
DOI: 10.1002/CHEM.201902810