Magnesium in PDB 4nz3: Structure of Vibrio Cholerae Chitin De-N-Acetylase

All present enzymatic activity of Structure of Vibrio Cholerae Chitin De-N-Acetylase:
3.5.1.41;

The structure of Structure of Vibrio Cholerae Chitin De-N-Acetylase, PDB code: 4nz3 was solved by D.Albesa-Jove, E.Andres, X.Biarnes, A.Planas, M.E.Guerin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.71 / 2.11
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.684, 98.142, 152.988, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 21.3

The structure of Structure of Vibrio Cholerae Chitin De-N-Acetylase also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Structure of Vibrio Cholerae Chitin De-N-Acetylase (pdb code 4nz3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Vibrio Cholerae Chitin De-N-Acetylase, PDB code: 4nz3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Vibrio Cholerae Chitin De-N-Acetylase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Vibrio Cholerae Chitin De-N-Acetylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:10.1 occ:1.00 O A:GLY223 2.0 8.9 1.0 O A:HOH739 2.1 10.6 1.0 O A:HOH872 2.2 8.9 1.0 O A:GLY355 2.2 9.6 1.0 O A:HOH632 2.2 7.9 1.0 O A:HOH681 2.2 11.7 1.0 C A:GLY223 3.1 9.5 1.0 C A:GLY355 3.3 13.9 1.0 CA A:GLY223 3.7 10.8 1.0 O A:HOH606 4.0 6.7 1.0 CA A:GLY355 4.1 11.5 1.0 O A:HOH754 4.1 16.7 1.0 OD2 A:ASP383 4.2 10.6 1.0 O2 A:EDO508 4.2 16.6 1.0 N A:TYR224 4.2 12.7 1.0 OD1 A:ASP383 4.3 13.4 1.0 O A:HOH772 4.3 22.5 1.0 N A:VAL356 4.3 13.0 1.0 O A:HOH670 4.5 6.9 1.0 CA A:VAL356 4.5 9.5 1.0 C A:TYR224 4.5 11.3 1.0 CA A:TYR224 4.5 8.2 1.0 CG A:ASP383 4.6 12.7 1.0 N A:GLN225 4.7 10.2 1.0 O A:GLU163 4.7 8.1 1.0 C2 A:EDO508 4.8 34.4 1.0 CG2 A:VAL356 4.8 17.6 1.0 O A:TYR224 4.8 10.1 1.0

Magnesium binding site 2 out of 2 in the Structure of Vibrio Cholerae Chitin De-N-Acetylase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Vibrio Cholerae Chitin De-N-Acetylase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:12.4 occ:1.00 O B:GLY355 2.0 10.9 1.0 O B:HOH956 2.1 8.9 1.0 O B:GLY223 2.1 9.0 1.0 O B:HOH823 2.1 5.3 1.0 O B:HOH606 2.2 6.9 1.0 O B:HOH646 2.2 7.5 1.0 C B:GLY355 3.2 9.9 1.0 C B:GLY223 3.2 10.4 1.0 CA B:GLY223 3.8 13.0 1.0 CA B:GLY355 3.9 9.6 1.0 OD2 B:ASP383 4.1 13.9 1.0 O B:HOH844 4.2 11.4 1.0 N B:VAL356 4.2 11.6 1.0 O B:HOH604 4.2 11.2 1.0 O B:HOH608 4.2 15.3 1.0 OD1 B:ASP383 4.2 10.2 1.0 O B:HOH842 4.3 11.6 1.0 N B:TYR224 4.3 11.3 1.0 O B:HOH724 4.4 17.9 1.0 CA B:VAL356 4.4 9.4 1.0 CG B:ASP383 4.6 9.5 1.0 O B:GLU163 4.6 6.6 1.0 CA B:TYR224 4.6 4.8 1.0 C B:TYR224 4.6 7.3 1.0 N B:GLN225 4.7 5.8 1.0 CG B:GLU163 4.8 10.2 1.0 CG B:GLN225 4.9 12.1 1.0 CG2 B:VAL356 4.9 12.1 1.0

E.Andres, D.Albesa-Jove, X.Biarnes, B.M.Moerschbacher, M.E.Guerin, A.Planas. Structural Basis of Chitin Oligosaccharide Deacetylation. Angew.Chem.Int.Ed.Engl. V. 53 6882 2014.
ISSN: ISSN 1433-7851
PubMed: 24810719
DOI: 10.1002/ANIE.201400220