Fluorine in PDB 7w48: Crystal Structure of the Gastric Proton Pump Complexed with Pf- 03716556

All present enzymatic activity of Crystal Structure of the Gastric Proton Pump Complexed with Pf- 03716556:
3.6.3.10;

The structure of Crystal Structure of the Gastric Proton Pump Complexed with Pf- 03716556, PDB code: 7w48 was solved by K.Abe, S.Tanaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.18 / 3.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.75, 104.75, 368.79, 90, 90, 120
R / Rfree (%)	25.2 / 30.7

The structure of Crystal Structure of the Gastric Proton Pump Complexed with Pf- 03716556 also contains other interesting chemical elements:

Rubidium	(Rb)	3 atoms
Magnesium	(Mg)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of the Gastric Proton Pump Complexed with Pf- 03716556 (pdb code 7w48). 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 Complexed with Pf- 03716556, PDB code: 7w48:
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 Complexed with Pf- 03716556


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 Complexed with Pf- 03716556 within 5.0Å range: probe atom residue distance (Å) B Occ A:F385 b:71.7 occ:1.00 F1 A:BFD385 0.0 71.7 1.0 BE A:BFD385 1.8 66.0 1.0 MG A:MG1101 2.2 156.1 1.0 F3 A:BFD385 2.6 74.4 1.0 O A:SER225 2.7 72.6 1.0 O A:THR387 2.8 67.8 1.0 OD1 A:BFD385 3.0 61.5 1.0 F2 A:BFD385 3.0 63.8 1.0 CB A:THR387 3.2 72.2 1.0 ND2 A:ASN729 3.4 67.0 1.0 CA A:GLY229 3.6 65.4 1.0 C A:THR387 3.7 69.6 1.0 O A:THR228 3.7 67.8 1.0 OD2 A:BFD385 3.8 68.5 1.0 CA A:THR387 3.8 71.6 1.0 OG1 A:THR387 3.8 69.8 1.0 C A:SER225 3.8 68.6 1.0 OD1 A:ASP726 3.9 63.0 1.0 CG A:BFD385 3.9 64.6 1.0 N A:THR387 4.0 67.5 1.0 CG2 A:THR387 4.2 77.0 1.0 OD1 A:ASN729 4.3 74.8 1.0 CG A:ASN729 4.3 65.9 1.0 C A:GLY229 4.3 72.4 1.0 CA A:SER225 4.3 68.5 1.0 O A:GLY229 4.3 76.7 1.0 CB A:SER225 4.4 75.9 1.0 N A:GLY229 4.4 58.2 1.0 C A:THR228 4.4 62.9 1.0 OD2 A:ASP726 4.5 69.3 1.0 CG A:ASP726 4.6 69.7 1.0 N A:GLY388 5.0 67.0 1.0 N A:SER226 5.0 60.4 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the Gastric Proton Pump Complexed with Pf- 03716556


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 Complexed with Pf- 03716556 within 5.0Å range: probe atom residue distance (Å) B Occ A:F385 b:63.8 occ:1.00 F2 A:BFD385 0.0 63.8 1.0 BE A:BFD385 1.8 66.0 1.0 F3 A:BFD385 2.6 74.4 1.0 N A:THR387 2.6 67.5 1.0 OG1 A:THR626 2.8 69.5 1.0 OG1 A:THR387 2.9 69.8 1.0 OD1 A:BFD385 3.0 61.5 1.0 F1 A:BFD385 3.0 71.7 1.0 N A:LYS386 3.2 61.9 1.0 CB A:THR387 3.3 72.2 1.0 CB A:THR626 3.3 63.9 1.0 CA A:THR387 3.5 71.6 1.0 CB A:LYS386 3.5 57.1 1.0 C A:LYS386 3.5 68.5 1.0 CG A:BFD385 3.6 64.6 1.0 CA A:THR626 3.6 60.8 1.0 CA A:LYS386 3.6 63.1 1.0 OD2 A:BFD385 3.7 68.5 1.0 CA A:GLY229 3.8 65.4 1.0 N A:GLY627 3.9 61.2 1.0 O A:GLY229 4.1 76.7 1.0 O A:THR387 4.1 67.8 1.0 C A:THR626 4.2 62.9 1.0 C A:BFD385 4.3 58.1 1.0 C A:THR387 4.3 69.6 1.0 C A:GLY229 4.4 72.4 1.0 NZ A:LYS707 4.5 61.4 1.0 CG A:LYS386 4.5 57.0 1.0 CA A:BFD385 4.6 58.1 1.0 O A:VAL625 4.6 57.9 1.0 CB A:BFD385 4.7 61.6 1.0 O A:LYS386 4.7 73.5 1.0 CG2 A:THR387 4.7 77.0 1.0 CG2 A:THR626 4.7 61.5 1.0 MG A:MG1101 4.8 156.1 1.0 N A:THR626 4.8 61.6 1.0 ND2 A:ASN729 4.8 67.0 1.0 CE A:LYS386 4.9 67.3 1.0 N A:ASP628 5.0 65.2 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the Gastric Proton Pump Complexed with Pf- 03716556


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 Complexed with Pf- 03716556 within 5.0Å range: probe atom residue distance (Å) B Occ A:F385 b:74.4 occ:1.00 F3 A:BFD385 0.0 74.4 1.0 BE A:BFD385 1.8 66.0 1.0 ND2 A:ASN729 2.3 67.0 1.0 OD1 A:BFD385 2.6 61.5 1.0 F1 A:BFD385 2.6 71.7 1.0 F2 A:BFD385 2.6 63.8 1.0 NZ A:LYS707 2.9 61.4 1.0 CA A:GLY229 3.2 65.4 1.0 N A:GLY627 3.4 61.2 1.0 CG A:ASN729 3.5 65.9 1.0 N A:GLY229 3.7 58.2 1.0 CE A:LYS707 3.8 62.0 1.0 CG A:BFD385 3.9 64.6 1.0 CA A:THR626 4.0 60.8 1.0 OD1 A:ASN729 4.1 74.8 1.0 MG A:MG1101 4.1 156.1 1.0 O A:THR228 4.2 67.8 1.0 C A:THR626 4.2 62.9 1.0 CA A:GLY627 4.2 61.9 1.0 C A:THR228 4.3 62.9 1.0 OD1 A:ASP730 4.3 59.7 1.0 OG1 A:THR626 4.4 69.5 1.0 OD2 A:BFD385 4.5 68.5 1.0 C A:GLY229 4.5 72.4 1.0 O A:VAL625 4.6 57.9 1.0 CB A:ASN729 4.6 55.9 1.0 CB A:THR626 4.7 63.9 1.0 O A:SER225 4.7 72.6 1.0 OG1 A:THR387 4.8 69.8 1.0 O A:GLY229 4.8 76.7 1.0 CB A:THR387 4.9 72.2 1.0 N A:THR387 4.9 67.5 1.0 CB A:BFD385 5.0 61.6 1.0

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