Zinc 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:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc 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 Zinc binding site number: 1; 2;

Zinc 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 Zinc with other atoms in the Zn 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:Zn301 b:27.6 occ:1.00 O A:HOH534 2.1 18.8 1.0 NE2 A:HIS110 2.1 15.2 1.0 ND1 A:HIS129 2.2 15.2 1.0 NE2 A:HIS112 2.2 13.9 1.0 O A:HOH584 2.3 19.3 1.0 CE1 A:HIS129 2.9 14.1 1.0 CE1 A:HIS110 2.9 17.3 1.0 CD2 A:HIS112 3.1 13.2 1.0 CE1 A:HIS112 3.2 14.9 1.0 CG A:HIS129 3.2 12.3 1.0 CD2 A:HIS110 3.3 14.1 1.0 O A:HOH598 3.3 25.4 1.0 OG1 A:THR191 3.5 15.9 1.0 CB A:HIS129 3.7 12.5 1.0 O A:HOH580 3.9 31.6 1.0 NE2 A:HIS129 4.0 13.3 1.0 ND1 A:HIS110 4.1 15.9 1.0 CD2 A:HIS129 4.2 13.2 1.0 OE1 A:GLU116 4.2 14.6 1.0 O A:HOH638 4.3 25.8 1.0 ND1 A:HIS112 4.3 14.1 1.0 CG A:HIS112 4.3 13.9 1.0 CG A:HIS110 4.3 12.3 1.0 O A:HOH535 4.8 24.4 1.0 CB A:THR191 4.9 14.9 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn301 b:27.2 occ:1.00 NE2 B:HIS112 2.2 12.4 1.0 ND1 B:HIS129 2.2 11.8 1.0 O B:HOH520 2.2 18.7 1.0 NE2 B:HIS110 2.2 14.0 1.0 O B:HOH533 2.3 18.9 1.0 CE1 B:HIS129 2.9 12.8 1.0 CE1 B:HIS110 3.0 17.3 1.0 CD2 B:HIS112 3.1 14.8 1.0 CE1 B:HIS112 3.1 16.5 1.0 CG B:HIS129 3.2 11.3 1.0 CD2 B:HIS110 3.3 13.7 1.0 O B:HOH539 3.3 24.5 1.0 OG1 B:THR191 3.6 13.3 1.0 CB B:HIS129 3.7 12.9 1.0 NE2 B:HIS129 4.0 12.8 1.0 O B:HOH639 4.1 31.6 1.0 OE1 B:GLU116 4.1 13.6 1.0 ND1 B:HIS110 4.2 15.6 1.0 CD2 B:HIS129 4.2 16.3 1.0 ND1 B:HIS112 4.2 14.1 1.0 CG B:HIS112 4.2 15.1 1.0 O B:HOH591 4.3 22.1 1.0 CG B:HIS110 4.3 15.1 1.0 O B:HOH540 4.7 22.9 1.0 CB B:THR191 5.0 13.6 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