Fluorine in PDB 3h1e: Crystal Structure of Mg(2+) and Beh(3)(-)-Bound Chey of Helicobacter Pylori

The structure of Crystal Structure of Mg(2+) and Beh(3)(-)-Bound Chey of Helicobacter Pylori, PDB code: 3h1e was solved by K.H.Lam, T.K.Ling, S.W.Au, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.32 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.956, 38.098, 38.885, 90.00, 106.95, 90.00
R / Rfree (%)	15.1 / 22

The structure of Crystal Structure of Mg(2+) and Beh(3)(-)-Bound Chey of Helicobacter Pylori also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of Mg(2+) and Beh(3)(-)-Bound Chey of Helicobacter Pylori (pdb code 3h1e). 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 Mg(2+) and Beh(3)(-)-Bound Chey of Helicobacter Pylori, PDB code: 3h1e:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Mg(2+) and Beh(3)(-)-Bound Chey of Helicobacter Pylori


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 Mg(2+) and Beh(3)(-)-Bound Chey of Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:6.2 occ:1.00 F1 A:BEF301 0.0 6.2 1.0 BE A:BEF301 1.7 2.0 1.0 OG1 A:THR83 2.4 2.1 1.0 OD1 A:ASP53 2.6 6.5 1.0 N A:ASN55 2.8 4.2 1.0 F3 A:BEF301 2.9 2.0 1.0 F2 A:BEF301 3.0 4.5 1.0 CB A:TRP54 3.1 2.9 1.0 N A:TRP54 3.1 3.6 1.0 CB A:THR83 3.4 4.1 1.0 CA A:TRP54 3.4 3.4 1.0 ND2 A:ASN55 3.4 5.8 1.0 C A:TRP54 3.6 3.4 1.0 CB A:ASN55 3.6 4.7 1.0 CG A:ASP53 3.7 4.4 1.0 CA A:ASN55 3.7 4.6 1.0 CG A:ASN55 3.8 3.7 1.0 CA A:THR83 3.9 4.0 1.0 N A:THR84 4.0 5.6 1.0 OD2 A:ASP53 4.2 3.2 1.0 CG A:TRP54 4.3 3.4 1.0 OG1 A:THR84 4.3 4.7 1.0 C A:ASP53 4.3 3.7 1.0 CG A:GLU85 4.3 10.9 1.0 C A:THR83 4.5 4.9 1.0 O A:ASN55 4.6 5.7 1.0 MG A:MG202 4.6 3.3 1.0 C A:ASN55 4.6 5.3 1.0 N A:GLU85 4.7 7.4 1.0 CG2 A:THR83 4.7 2.4 1.0 CA A:ASP53 4.7 4.0 1.0 OD1 A:ASN55 4.7 4.2 1.0 O A:TRP54 4.8 2.3 1.0 CB A:ASP53 4.8 4.0 1.0 O A:ILE82 4.8 3.9 1.0 CD1 A:TRP54 5.0 5.6 1.0 CB A:GLU85 5.0 9.0 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Mg(2+) and Beh(3)(-)-Bound Chey of Helicobacter Pylori


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 Mg(2+) and Beh(3)(-)-Bound Chey of Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:4.5 occ:1.00 F2 A:BEF301 0.0 4.5 1.0 BE A:BEF301 1.8 2.0 1.0 MG A:MG202 1.9 3.3 1.0 O A:ASN55 2.7 5.7 1.0 OD2 A:ASP53 2.8 3.2 1.0 OD1 A:ASP53 2.8 6.5 1.0 F1 A:BEF301 3.0 6.2 1.0 F3 A:BEF301 3.0 2.0 1.0 O A:HOH168 3.1 14.2 1.0 CB A:ASN55 3.2 4.7 1.0 CG A:ASP53 3.2 4.4 1.0 O A:HOH156 3.2 2.0 1.0 C A:ASN55 3.5 5.3 1.0 N A:ASN55 3.5 4.2 1.0 CA A:ASN55 3.5 4.6 1.0 OD1 A:ASP8 3.9 11.7 1.0 CG A:ASN55 4.2 3.7 1.0 ND2 A:ASN55 4.2 5.8 1.0 NZ A:LYS105 4.4 3.9 1.0 C A:TRP54 4.6 3.4 1.0 CB A:ASP53 4.7 4.0 1.0 N A:TRP54 4.7 3.6 1.0 OG1 A:THR84 4.7 4.7 1.0 N A:MET56 4.7 6.3 1.0 OD2 A:ASP8 4.8 7.0 1.0 CG A:ASP8 4.8 7.3 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Mg(2+) and Beh(3)(-)-Bound Chey of Helicobacter Pylori


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 Mg(2+) and Beh(3)(-)-Bound Chey of Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:2.0 occ:1.00 F3 A:BEF301 0.0 2.0 1.0 BE A:BEF301 1.7 2.0 1.0 NZ A:LYS105 2.6 3.9 1.0 OD1 A:ASP53 2.8 6.5 1.0 F1 A:BEF301 2.9 6.2 1.0 CD A:LYS105 3.0 4.2 1.0 N A:THR84 3.0 5.6 1.0 F2 A:BEF301 3.0 4.5 1.0 CE A:LYS105 3.1 3.9 1.0 CA A:THR83 3.3 4.0 1.0 OG1 A:THR84 3.5 4.7 1.0 C A:THR83 3.6 4.9 1.0 OG1 A:THR83 3.7 2.1 1.0 CG A:ASP53 3.8 4.4 1.0 CG2 A:THR84 3.8 4.1 1.0 CB A:THR84 4.0 5.5 1.0 O A:HOH156 4.0 2.0 1.0 CB A:THR83 4.0 4.1 1.0 CA A:THR84 4.0 5.7 1.0 O A:ILE82 4.2 3.9 1.0 OD2 A:ASP53 4.2 3.2 1.0 CG A:LYS105 4.4 4.5 1.0 MG A:MG202 4.4 3.3 1.0 N A:THR83 4.4 4.3 1.0 C A:ILE82 4.7 4.0 1.0 O A:HOH157 4.8 5.0 1.0 O A:THR83 4.8 5.6 1.0 OD2 A:ASP7 4.8 3.3 1.0 CB A:ASP53 4.9 4.0 1.0 CB A:LYS105 5.0 5.2 1.0 N A:TRP54 5.0 3.6 1.0

K.H.Lam, T.K.Ling, S.W.Au. Crystal Structure of Activated CHEY1 From Helicobacter Pylori. J.Bacteriol. V. 192 2324 2010.
ISSN: ISSN 0021-9193
PubMed: 20207758
DOI: 10.1128/JB.00603-09