Magnesium in PDB 8ijx: Cryo-Em Structure of the Gastric Proton Pump with Bound Dq-18

The structure of Cryo-Em Structure of the Gastric Proton Pump with Bound Dq-18 also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Fluorine	(F)	3 atoms

The binding sites of Magnesium atom in the Cryo-Em Structure of the Gastric Proton Pump with Bound Dq-18 (pdb code 8ijx). 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 Cryo-Em Structure of the Gastric Proton Pump with Bound Dq-18, PDB code: 8ijx:

Magnesium binding site 1 out of 1 in the Cryo-Em Structure of the Gastric Proton Pump with Bound Dq-18


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryo-Em Structure of the Gastric Proton Pump with Bound Dq-18 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1102 b:30.7 occ:1.00 O A:THR387 2.0 28.1 1.0 O A:HOH1225 2.1 28.2 1.0 F1 A:BFD385 2.2 41.5 1.0 OD1 A:ASP726 2.3 33.6 1.0 O A:HOH1203 2.4 29.2 1.0 OD2 A:BFD385 2.4 32.4 1.0 BE A:BFD385 3.1 20.3 1.0 C A:THR387 3.2 20.4 1.0 CG A:BFD385 3.3 11.8 1.0 CG A:ASP726 3.3 20.0 1.0 OD1 A:BFD385 3.5 31.1 1.0 OD2 A:ASP726 3.5 35.1 1.0 CB A:THR387 4.0 24.6 1.0 CA A:THR387 4.0 14.5 1.0 O A:SER225 4.1 36.0 1.0 N A:GLY727 4.1 27.8 1.0 N A:THR387 4.2 20.5 1.0 N A:GLY388 4.2 23.5 1.0 OD2 A:ASP730 4.3 42.5 1.0 F2 A:BFD385 4.3 35.4 1.0 OD1 A:ASN729 4.4 42.0 1.0 OG1 A:THR389 4.4 27.4 1.0 CG2 A:THR387 4.5 19.1 1.0 F3 A:BFD385 4.5 33.2 1.0 CA A:GLY388 4.5 23.5 1.0 CA A:GLY727 4.6 24.2 1.0 CB A:BFD385 4.6 12.0 1.0 CB A:ASP726 4.7 24.7 1.0 N A:ASP726 4.7 27.3 1.0 ND2 A:ASN729 4.8 25.3 1.0 N A:THR389 4.9 21.7 1.0 C A:GLY388 4.9 21.4 1.0 C A:LYS386 4.9 10.4 1.0 C A:ASP726 5.0 19.9 1.0

K.Abe, S.Yokoshima, A.Yoshimori. Deep Learning Driven De Novo Drug Design Based on Gastric Proton Pump Structures To Be Published.