Magnesium in PDB 6gj7: Crystal Structure of Kras G12D (Gppcp) in Complex with 22

The structure of Crystal Structure of Kras G12D (Gppcp) in Complex with 22, PDB code: 6gj7 was solved by D.Kessler, D.M.Mcconnell, A.Mantoulidis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.67
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	41.790, 116.672, 91.802, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 25.7

The binding sites of Magnesium atom in the Crystal Structure of Kras G12D (Gppcp) in Complex with 22 (pdb code 6gj7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Kras G12D (Gppcp) in Complex with 22, PDB code: 6gj7:

Magnesium binding site 1 out of 1 in the Crystal Structure of Kras G12D (Gppcp) in Complex with 22


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 (Gppcp) in Complex with 22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:8.0 occ:1.00 O1B A:GCP202 1.9 4.4 1.0 OG A:SER17 2.0 14.2 1.0 O1G A:GCP202 2.0 7.7 1.0 OG1 A:THR35 2.1 11.2 1.0 O A:HOH301 2.1 4.7 1.0 O A:HOH302 2.1 6.3 1.0 CB A:SER17 3.1 12.2 1.0 PB A:GCP202 3.2 8.4 1.0 PG A:GCP202 3.2 9.1 1.0 CB A:THR35 3.2 15.6 1.0 C3B A:GCP202 3.5 6.7 1.0 N A:SER17 3.8 10.9 1.0 N A:THR35 3.9 12.7 1.0 OD2 A:ASP57 4.0 13.7 1.0 CA A:SER17 4.0 10.9 1.0 O2G A:GCP202 4.1 10.0 1.0 O1A A:GCP202 4.1 12.1 1.0 OD1 A:ASP57 4.2 14.9 1.0 CA A:THR35 4.2 12.3 1.0 O2B A:GCP202 4.2 7.5 1.0 CG2 A:THR35 4.2 16.7 1.0 O3A A:GCP202 4.3 7.8 1.0 O A:ASP33 4.4 18.1 1.0 O A:HOH406 4.4 15.2 1.0 O3G A:GCP202 4.4 9.9 1.0 O A:THR58 4.5 12.7 1.0 CG A:ASP57 4.5 14.2 1.0 O2A A:GCP202 4.5 10.8 1.0 PA A:GCP202 4.6 11.0 1.0 CB A:LYS16 4.8 11.5 1.0 C A:PRO34 4.9 15.3 1.0 C A:LYS16 4.9 12.1 1.0 CE A:LYS16 4.9 11.5 1.0

D.Kessler, M.Gmachl, A.Mantoulidis, L.J.Martin, A.Zoephel, M.Mayer, A.Gollner, D.Covini, S.Fischer, T.Gerstberger, T.Gmaschitz, C.Goodwin, P.Greb, D.Haring, W.Hela, J.Hoffmann, J.Karolyi-Oezguer, P.Knesl, S.Kornigg, M.Koegl, R.Kousek, L.Lamarre, F.Moser, S.Munico-Martinez, C.Peinsipp, J.Phan, J.Rinnenthal, J.Sai, C.Salamon, Y.Scherbantin, K.Schipany, R.Schnitzer, A.Schrenk, B.Sharps, G.Siszler, Q.Sun, A.Waterson, B.Wolkerstorfer, M.Zeeb, M.Pearson, S.W.Fesik, D.B.Mcconnell. Drugging An Undruggable Pocket on Kras. Proc.Natl.Acad.Sci.Usa V. 116 15823 2019.
ISSN: ESSN 1091-6490
PubMed: 31332011
DOI: 10.1073/PNAS.1904529116