Magnesium in PDB 6cc9: uc(Nmr) Data-Driven Model of Gtpase Kras-Gmppnp:CMPD2 Complex Tethered to A Nanodisc

The structure of uc(Nmr) Data-Driven Model of Gtpase Kras-Gmppnp:CMPD2 Complex Tethered to A Nanodisc also contains other interesting chemical elements:

Bromine	(Br)	10 atoms
Chlorine	(Cl)	10 atoms

The binding sites of Magnesium atom in the uc(Nmr) Data-Driven Model of Gtpase Kras-Gmppnp:CMPD2 Complex Tethered to A Nanodisc (pdb code 6cc9). 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 uc(Nmr) Data-Driven Model of Gtpase Kras-Gmppnp:CMPD2 Complex Tethered to A Nanodisc, PDB code: 6cc9:

Magnesium binding site 1 out of 1 in the uc(Nmr) Data-Driven Model of Gtpase Kras-Gmppnp:CMPD2 Complex Tethered to A Nanodisc


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of uc(Nmr) Data-Driven Model of Gtpase Kras-Gmppnp:CMPD2 Complex Tethered to A Nanodisc within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg238 b:10.0 occ:1.00 OD1 B:ASP57 1.6 10.0 1.0 CG B:ASP57 2.7 10.0 1.0 OG1 B:THR35 3.0 10.0 1.0 OD2 B:ASP57 3.3 10.0 1.0 CB B:THR35 3.5 10.0 1.0 HH B:TYR40 3.6 10.0 1.0 OH B:TYR40 3.6 10.0 1.0 CB B:ASP57 3.8 10.0 1.0 OD2 B:ASP38 3.8 10.0 1.0 HG1 B:THR35 3.9 10.0 1.0 CB B:SER17 4.2 10.0 1.0 CG2 B:THR35 4.3 10.0 1.0 CA B:SER17 4.3 10.0 1.0 CE1 B:TYR40 4.5 10.0 1.0 OG B:SER17 4.5 10.0 1.0 CB B:ASP38 4.5 10.0 1.0 CZ B:TYR40 4.5 10.0 1.0 CG B:ASP38 4.7 10.0 1.0 N B:SER17 4.8 10.0 1.0 CA B:THR35 4.8 10.0 1.0 HG B:SER17 4.8 10.0 1.0 OG1 B:THR20 4.9 10.0 1.0 H B:THR35 4.9 10.0 1.0 HZ3 B:LYS16 5.0 10.0 1.0 N B:THR35 5.0 10.0 1.0 O B:ASP33 5.0 10.0 1.0

Z.Fang, C.B.Marshall, T.Nishikawa, A.D.Gossert, J.M.Jansen, W.Jahnke, M.Ikura. Inhibition of K-RAS4B By A Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site. Cell Chem Biol V. 25 1327 2018.
ISSN: ESSN 2451-9448
PubMed: 30122370
DOI: 10.1016/J.CHEMBIOL.2018.07.009