Rubidium in PDB 7w47: Crystal Structure of the Gastric Proton Pump Complexed with Tegoprazan

All present enzymatic activity of Crystal Structure of the Gastric Proton Pump Complexed with Tegoprazan:
3.6.3.10;

The structure of Crystal Structure of the Gastric Proton Pump Complexed with Tegoprazan, PDB code: 7w47 was solved by K.Abe, S.Tanaka, M.Morita, T.Yamagishi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.26 / 3.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.99, 104.99, 367.79, 90, 90, 120
R / Rfree (%)	22.2 / 28.5

The structure of Crystal Structure of the Gastric Proton Pump Complexed with Tegoprazan also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Fluorine	(F)	5 atoms

The binding sites of Rubidium atom in the Crystal Structure of the Gastric Proton Pump Complexed with Tegoprazan (pdb code 7w47). This binding sites where shown within 5.0 Angstroms radius around Rubidium atom.
In total 3 binding sites of Rubidium where determined in the Crystal Structure of the Gastric Proton Pump Complexed with Tegoprazan, PDB code: 7w47:
Jump to Rubidium binding site number: 1; 2; 3;

Rubidium binding site 1 out of 3 in the Crystal Structure of the Gastric Proton Pump Complexed with Tegoprazan


Mono view


Stereo pair view

A full contact list of Rubidium with other atoms in the Rb binding site number 1 of Crystal Structure of the Gastric Proton Pump Complexed with Tegoprazan within 5.0Å range: probe atom residue distance (Å) B Occ A:Rb1102 b:95.8 occ:1.00 O A:ALA339 2.6 49.0 1.0 OE1 A:GLU820 2.6 75.9 1.0 OE2 A:GLU343 2.8 56.9 1.0 O A:VAL341 3.0 60.2 1.0 ND2 A:ASN792 3.2 72.0 1.0 OE2 A:GLU795 3.4 85.8 1.0 OE1 A:GLU343 3.5 67.8 1.0 CD A:GLU343 3.5 54.9 1.0 C A:ALA339 3.5 42.2 1.0 CD A:GLU820 3.8 70.3 1.0 CA A:ALA339 3.9 49.9 1.0 C A:VAL341 4.0 50.2 1.0 CG A:ASN792 4.3 65.9 1.0 O A:VAL338 4.3 46.7 1.0 N A:VAL341 4.3 53.1 1.0 CD A:GLU795 4.4 66.2 1.0 CD1 A:ILE816 4.5 67.8 1.0 OE2 A:GLU820 4.6 82.4 1.0 CB A:ALA339 4.7 53.4 1.0 N A:TYR340 4.7 35.1 1.0 O A:HOH1260 4.7 30.0 1.0 CA A:PRO342 4.7 29.0 1.0 N A:PRO342 4.7 41.2 1.0 CG A:GLU820 4.8 47.0 1.0 C A:TYR340 4.8 43.9 1.0 CA A:VAL341 4.8 50.0 1.0 CG A:GLU343 4.9 38.5 1.0 N A:GLU343 4.9 32.4 1.0 OD1 A:ASN792 4.9 55.8 1.0 CG A:GLU795 5.0 57.6 1.0

Rubidium binding site 2 out of 3 in the Crystal Structure of the Gastric Proton Pump Complexed with Tegoprazan


Mono view


Stereo pair view

A full contact list of Rubidium with other atoms in the Rb binding site number 2 of Crystal Structure of the Gastric Proton Pump Complexed with Tegoprazan within 5.0Å range: probe atom residue distance (Å) B Occ A:Rb1103 b:73.7 occ:1.00 O A:LYS735 2.7 53.0 1.0 OD1 A:ASP756 2.8 53.1 1.0 O A:ALA737 2.8 32.3 1.0 O A:LEU734 3.2 59.2 1.0 O A:HOH1248 3.2 47.9 1.0 O A:HOH1241 3.4 26.8 1.0 C A:LYS735 3.5 49.5 1.0 CG A:ASP756 3.7 61.0 1.0 CA A:LYS735 3.7 49.0 1.0 OD2 A:ASP756 3.8 77.0 1.0 CB A:ASN288 3.9 66.2 1.0 C A:ALA737 3.9 29.7 1.0 N A:ALA737 4.2 37.6 1.0 C A:LEU734 4.2 45.8 1.0 O A:ALA754 4.3 30.5 1.0 N A:GLY740 4.3 41.2 1.0 ND2 A:ASN288 4.3 61.5 1.0 N A:LYS735 4.5 49.0 1.0 O A:ASP738 4.5 59.0 1.0 CA A:ALA737 4.5 30.5 1.0 C A:ASP738 4.6 55.5 1.0 N A:LYS736 4.7 40.7 1.0 C A:LYS736 4.7 46.2 1.0 CG A:ASN288 4.7 63.7 1.0 CG A:LYS735 4.8 31.6 1.0 CA A:ILE739 4.8 44.8 1.0 C A:ILE739 4.9 46.9 1.0 CB A:LYS735 4.9 11.9 1.0 N A:ILE739 4.9 50.9 1.0 CB A:ALA737 4.9 32.6 1.0 CA A:GLY740 4.9 35.8 1.0 N A:ASP738 5.0 25.6 1.0

Rubidium binding site 3 out of 3 in the Crystal Structure of the Gastric Proton Pump Complexed with Tegoprazan


Mono view


Stereo pair view

A full contact list of Rubidium with other atoms in the Rb binding site number 3 of Crystal Structure of the Gastric Proton Pump Complexed with Tegoprazan within 5.0Å range: probe atom residue distance (Å) B Occ A:Rb1104 b:130.4 occ:1.00 O A:SER408 2.6 36.7 1.0 O A:THR419 2.6 70.1 1.0 O A:GLN418 3.3 70.3 1.0 OG A:SER408 3.5 64.3 1.0 C A:THR419 3.5 51.4 1.0 C A:SER408 3.8 36.2 1.0 O A:HOH1233 4.0 22.8 1.0 C A:GLN418 4.0 62.0 1.0 N A:PHE420 4.2 32.1 1.0 CA A:PHE420 4.3 36.1 1.0 CG A:GLN418 4.3 83.7 1.0 CA A:THR419 4.4 49.0 1.0 N A:THR419 4.5 44.3 1.0 CA A:SER408 4.6 34.9 1.0 N A:SER408 4.6 34.6 1.0 CB A:SER408 4.6 43.5 1.0 CB A:GLN418 4.6 71.4 1.0 CB A:PHE420 4.6 34.1 1.0 N A:ALA409 4.9 18.8 1.0 CA A:GLN418 5.0 68.2 1.0

K.Abe, S.Tanaka, M.Morita, T.Yamagishi. Crystal Structure of the Gastric Proton Pump with Pcab To Be Published.