Fluorine in PDB 7efl: Crystal Structure of the Gastric Proton Pump K791S in (Byk)E2BEF State

The structure of Crystal Structure of the Gastric Proton Pump K791S in (Byk)E2BEF State, PDB code: 7efl was solved by K.Abe, K.Yamamoto, K.Irie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.29 / 3.40
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.97, 104.97, 369.94, 90, 90, 120
R / Rfree (%)	23 / 28.9

The structure of Crystal Structure of the Gastric Proton Pump K791S in (Byk)E2BEF State also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Rubidium	(Rb)	4 atoms

The binding sites of Fluorine atom in the Crystal Structure of the Gastric Proton Pump K791S in (Byk)E2BEF State (pdb code 7efl). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the Gastric Proton Pump K791S in (Byk)E2BEF State, PDB code: 7efl:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of the Gastric Proton Pump K791S in (Byk)E2BEF State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Gastric Proton Pump K791S in (Byk)E2BEF State within 5.0Å range: probe atom residue distance (Å) B Occ A:F385 b:87.7 occ:1.00 F1 A:BFD385 0.0 87.7 1.0 BE A:BFD385 1.8 77.4 1.0 MG A:MG1101 2.4 70.9 1.0 ND2 A:ASN729 2.7 71.4 1.0 F3 A:BFD385 2.8 74.3 1.0 OD1 A:ASN729 3.0 74.9 1.0 OD1 A:BFD385 3.0 71.7 1.0 F2 A:BFD385 3.0 76.2 1.0 O A:SER225 3.0 85.6 1.0 CG A:ASN729 3.3 74.8 1.0 CA A:GLY229 3.5 81.8 1.0 O A:THR228 3.6 87.4 1.0 OD2 A:BFD385 3.8 72.4 1.0 CG A:BFD385 3.9 75.3 1.0 C A:THR228 4.1 82.5 1.0 N A:GLY229 4.1 78.7 1.0 C A:SER225 4.2 83.3 1.0 OD1 A:ASP726 4.3 85.7 1.0 O A:SER226 4.3 68.3 1.0 C A:GLY229 4.5 85.4 1.0 NZ A:LYS707 4.5 81.0 1.0 O A:THR387 4.5 74.7 1.0 O A:GLY229 4.6 87.0 1.0 C A:SER226 4.7 69.2 1.0 CA A:SER226 4.8 71.2 1.0 CB A:ASN729 4.8 71.7 1.0 CB A:THR387 4.8 81.6 1.0 CA A:GLY727 4.9 70.5 1.0 N A:SER226 5.0 72.4 1.0 OD1 A:ASP730 5.0 75.6 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the Gastric Proton Pump K791S in (Byk)E2BEF State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Gastric Proton Pump K791S in (Byk)E2BEF State within 5.0Å range: probe atom residue distance (Å) B Occ A:F385 b:76.2 occ:1.00 F2 A:BFD385 0.0 76.2 1.0 BE A:BFD385 1.7 77.4 1.0 N A:THR387 2.4 75.7 1.0 F3 A:BFD385 2.5 74.3 1.0 OD2 A:BFD385 2.8 72.4 1.0 CB A:THR387 2.8 81.6 1.0 OD1 A:BFD385 3.0 71.7 1.0 CA A:THR387 3.0 77.6 1.0 O A:THR387 3.0 74.7 1.0 F1 A:BFD385 3.0 87.7 1.0 OG1 A:THR387 3.1 80.5 1.0 CG A:BFD385 3.2 75.3 1.0 MG A:MG1101 3.3 70.9 1.0 C A:LYS386 3.4 70.1 1.0 C A:THR387 3.4 77.7 1.0 OG1 A:THR626 3.4 92.1 1.0 N A:LYS386 3.5 71.6 1.0 CA A:LYS386 3.8 66.8 1.0 O A:GLY229 4.0 87.0 1.0 CB A:LYS386 4.1 71.7 1.0 CA A:GLY229 4.1 81.8 1.0 CG2 A:THR387 4.2 76.0 1.0 O A:LYS386 4.3 68.5 1.0 C A:BFD385 4.4 73.9 1.0 OD1 A:ASP726 4.4 85.7 1.0 CB A:BFD385 4.5 75.1 1.0 C A:GLY229 4.5 85.4 1.0 CB A:THR626 4.6 81.9 1.0 N A:GLY388 4.7 75.9 1.0 CA A:BFD385 4.8 72.4 1.0 O A:SER225 4.8 85.6 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the Gastric Proton Pump K791S in (Byk)E2BEF State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Gastric Proton Pump K791S in (Byk)E2BEF State within 5.0Å range: probe atom residue distance (Å) B Occ A:F385 b:74.3 occ:1.00 F3 A:BFD385 0.0 74.3 1.0 BE A:BFD385 1.8 77.4 1.0 OD1 A:BFD385 2.5 71.7 1.0 F2 A:BFD385 2.5 76.2 1.0 OG1 A:THR626 2.8 92.1 1.0 F1 A:BFD385 2.8 87.7 1.0 N A:GLY627 2.9 86.0 1.0 NZ A:LYS707 3.2 81.0 1.0 CA A:THR626 3.3 84.6 1.0 CA A:GLY229 3.4 81.8 1.0 CB A:THR626 3.6 81.9 1.0 ND2 A:ASN729 3.6 71.4 1.0 CG A:BFD385 3.6 75.3 1.0 C A:THR626 3.6 84.1 1.0 CA A:GLY627 3.9 85.8 1.0 OD2 A:BFD385 4.0 72.4 1.0 N A:GLY229 4.2 78.7 1.0 N A:LYS386 4.3 71.6 1.0 CE A:LYS707 4.3 81.8 1.0 N A:ASP628 4.4 83.1 1.0 MG A:MG1101 4.5 70.9 1.0 C A:GLY229 4.5 85.4 1.0 O A:GLY229 4.5 87.0 1.0 CG A:ASN729 4.6 74.8 1.0 N A:THR387 4.6 75.7 1.0 O A:VAL625 4.6 70.0 1.0 N A:THR626 4.6 81.6 1.0 C A:GLY627 4.6 84.8 1.0 CB A:BFD385 4.7 75.1 1.0 OD1 A:ASN729 4.8 74.9 1.0 OG1 A:THR387 4.8 80.5 1.0 O A:THR626 4.8 81.3 1.0 CA A:BFD385 4.9 72.4 1.0 CG2 A:THR626 4.9 79.6 1.0 C A:THR228 5.0 82.5 1.0

K.Abe, K.Yamamoto, K.Irie. Crystal Structure of the Gastric Proton Pump Mutants To Be Published.