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

Protein crystallography data

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

Other elements in 4xfw:

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

Chlorine Binding Sites:

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 4xfw

Go back to Chlorine Binding Sites List in 4xfw
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 4xfw

Go back to Chlorine Binding Sites List in 4xfw
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

Reference:

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
Page generated: Fri Jul 11 22:53:56 2025

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