Chlorine in PDB 4xfw: Crystal Structure of the Monoclinic Form of Alpha-Carbonic Anhydrase From the Human Pathogen Helicobacter Pylori

The structure of Crystal Structure of the Monoclinic Form of Alpha-Carbonic Anhydrase From the Human Pathogen Helicobacter Pylori, PDB code: 4xfw was solved by M.E.Compostella, F.Vallese, P.Berto, G.Zanotti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.95 / 1.52
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.906, 95.905, 53.318, 90.00, 92.92, 90.00
R / Rfree (%)	17 / 19.8

The structure of Crystal Structure of the Monoclinic Form of Alpha-Carbonic Anhydrase From the Human Pathogen Helicobacter Pylori also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Monoclinic Form of Alpha-Carbonic Anhydrase From the Human Pathogen Helicobacter Pylori (pdb code 4xfw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Monoclinic Form of Alpha-Carbonic Anhydrase From the Human Pathogen Helicobacter Pylori, PDB code: 4xfw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Monoclinic Form of Alpha-Carbonic Anhydrase From the Human Pathogen Helicobacter Pylori


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Monoclinic Form of Alpha-Carbonic Anhydrase From the Human Pathogen Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:15.5 occ:1.00 NE2 A:HIS129 3.1 13.3 1.0 OG A:SER127 3.2 13.9 1.0 N A:GLU116 3.3 14.8 1.0 N A:PHE117 3.4 13.7 1.0 CG A:MET115 3.5 13.7 1.0 CB A:SER127 3.7 13.7 1.0 CD1 A:PHE117 3.8 13.6 1.0 CB A:GLU116 3.8 16.6 1.0 CD2 A:HIS129 3.9 13.2 1.0 CB A:ALA143 3.9 13.9 1.0 CA A:GLU116 3.9 13.9 1.0 C A:GLU116 4.1 16.4 1.0 CE1 A:HIS129 4.2 14.1 1.0 CE A:MET115 4.2 15.1 1.0 CB A:PHE117 4.2 13.5 1.0 C A:MET115 4.3 16.4 1.0 CA A:PHE117 4.4 13.7 1.0 CG A:PHE117 4.5 16.4 1.0 CA A:MET115 4.5 14.2 1.0 CB A:MET115 4.5 14.6 1.0 SD A:MET115 4.6 16.3 1.0 CG A:GLU116 4.7 14.9 1.0 CE1 A:PHE117 4.7 13.3 1.0 OE1 A:GLU116 4.9 14.6 1.0 O A:PHE117 5.0 17.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Monoclinic Form of Alpha-Carbonic Anhydrase From the Human Pathogen Helicobacter Pylori


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Monoclinic Form of Alpha-Carbonic Anhydrase From the Human Pathogen Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:14.1 occ:1.00 NE2 B:HIS129 3.1 12.8 1.0 OG B:SER127 3.1 14.2 1.0 N B:GLU116 3.2 11.3 1.0 N B:PHE117 3.4 12.6 1.0 CG B:MET115 3.5 11.7 1.0 CB B:SER127 3.7 13.2 1.0 CB B:GLU116 3.7 12.6 1.0 CD1 B:PHE117 3.8 11.5 1.0 CA B:GLU116 3.8 12.9 1.0 CD2 B:HIS129 3.9 16.3 1.0 CB B:ALA143 3.9 13.4 1.0 C B:GLU116 4.1 14.8 1.0 CE B:MET115 4.1 15.0 1.0 CE1 B:HIS129 4.2 12.8 1.0 C B:MET115 4.2 13.9 1.0 CB B:PHE117 4.2 12.2 1.0 CA B:PHE117 4.4 12.3 1.0 CA B:MET115 4.4 14.7 1.0 CG B:PHE117 4.5 10.7 1.0 CB B:MET115 4.5 13.0 1.0 CG B:GLU116 4.6 16.3 1.0 SD B:MET115 4.6 15.3 1.0 CE1 B:PHE117 4.7 12.2 1.0 OE1 B:GLU116 4.8 13.6 1.0 O B:PHE117 4.9 16.6 1.0

M.E.Compostella, P.Berto, F.Vallese, G.Zanotti. Structure of Alpha-Carbonic Anhydrase From the Human Pathogen Helicobacter Pylori. Acta Crystallogr.,Sect.F V. 71 1005 2015.
ISSN: ESSN 2053-230X
PubMed: 26249690
DOI: 10.1107/S2053230X15010407