Magnesium in PDB 7lgi: The Haddock Model of Gdp Kras in Complex with Promazine Using Chemical Shift Perturbations and Intermolecular Noes

All present enzymatic activity of The Haddock Model of Gdp Kras in Complex with Promazine Using Chemical Shift Perturbations and Intermolecular Noes:
3.6.5.2;

The binding sites of Magnesium atom in the The Haddock Model of Gdp Kras in Complex with Promazine Using Chemical Shift Perturbations and Intermolecular Noes (pdb code 7lgi). 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 The Haddock Model of Gdp Kras in Complex with Promazine Using Chemical Shift Perturbations and Intermolecular Noes, PDB code: 7lgi:

Magnesium binding site 1 out of 1 in the The Haddock Model of Gdp Kras in Complex with Promazine Using Chemical Shift Perturbations and Intermolecular Noes


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Haddock Model of Gdp Kras in Complex with Promazine Using Chemical Shift Perturbations and Intermolecular Noes within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:0.5 occ:1.00 OD2 A:ASP57 1.5 0.5 1.0 OG A:SER17 1.7 0.5 1.0 HG A:SER17 2.2 1.1 1.0 CG A:ASP57 2.4 0.4 1.0 OD1 A:ASP57 2.7 0.5 1.0 CB A:SER17 2.9 0.5 1.0 HB3 A:SER17 2.9 0.6 1.0 HA A:PRO34 3.5 0.5 1.0 O A:ILE36 3.5 0.6 1.0 HB2 A:SER17 3.5 0.5 1.0 O A:PRO34 3.7 0.5 1.0 O2B A:GDP201 3.7 0.7 1.0 HE2 A:TYR32 3.8 0.8 1.0 CB A:ASP57 3.9 0.4 1.0 HA A:SER17 3.9 0.5 1.0 CA A:SER17 3.9 0.5 1.0 H A:SER17 3.9 0.5 1.0 HB3 A:ASP57 4.0 0.5 1.0 HD2 A:TYR32 4.1 0.7 1.0 O A:THR58 4.2 0.5 1.0 N A:SER17 4.2 0.4 1.0 O A:ASP33 4.2 0.5 1.0 O A:ASP57 4.2 0.4 1.0 C A:PRO34 4.3 0.5 1.0 CA A:PRO34 4.4 0.5 1.0 O3B A:GDP201 4.4 0.7 1.0 HB2 A:LYS16 4.4 0.7 1.0 HB2 A:ASP57 4.4 0.5 1.0 HA A:GLU37 4.5 0.5 1.0 C A:ASP57 4.6 0.4 1.0 C A:ILE36 4.7 0.5 1.0 HA A:ALA59 4.7 0.5 1.0 CE2 A:TYR32 4.7 0.7 1.0 PB A:GDP201 4.7 0.6 1.0 CD2 A:TYR32 4.8 0.6 1.0 CA A:ASP57 4.8 0.4 1.0 HE3 A:LYS16 4.9 1.2 1.0 HE2 A:LYS16 4.9 1.2 1.0 O2A A:GDP201 5.0 0.7 1.0

X.Wang, A.A.Gorfe, J.A.Putkey. Antipsychotic Phenothiazine Drugs Bind to Kras in Vitro. J.Biomol.uc(Nmr) V. 75 233 2021.
ISSN: ISSN 0925-2738
PubMed: 34176062
DOI: 10.1007/S10858-021-00371-Z