Magnesium in PDB 4oui: 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: 4oui 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)	83.32 / 2.17
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.100, 98.940, 154.500, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 21.4

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 4oui). 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: 4oui:
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:14.1 occ:1.00 O A:GLY223 2.0 9.7 1.0 O A:HOH632 2.0 14.8 1.0 O A:HOH732 2.0 12.7 1.0 O A:GLY355 2.1 9.6 1.0 O A:HOH676 2.1 14.9 1.0 O A:HOH847 2.1 11.4 1.0 C A:GLY223 3.1 16.0 1.0 C A:GLY355 3.3 15.6 1.0 CA A:GLY223 3.7 12.2 1.0 CA A:GLY355 4.1 13.3 1.0 OD2 A:ASP383 4.2 19.8 1.0 O A:HOH606 4.2 11.5 1.0 N A:TYR224 4.2 11.8 1.0 O A:HOH666 4.2 14.0 1.0 O2 A:EDO507 4.3 22.1 1.0 N A:VAL356 4.3 12.4 1.0 O A:HOH747 4.3 18.4 1.0 O A:HOH763 4.4 30.7 1.0 C A:TYR224 4.5 17.3 1.0 OD1 A:ASP383 4.5 16.0 1.0 CA A:VAL356 4.5 12.8 1.0 CA A:TYR224 4.5 13.2 1.0 N A:GLN225 4.6 14.1 1.0 O A:GLU163 4.7 10.8 1.0 CG A:ASP383 4.7 17.1 1.0 C2 A:EDO507 4.8 38.6 1.0 O A:TYR224 4.8 14.1 1.0 CG2 A:VAL356 4.9 15.7 1.0 CG A:GLU163 5.0 15.7 1.0 CG A:GLN225 5.0 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:15.7 occ:1.00 O B:GLY355 2.0 18.4 1.0 O B:HOH897 2.0 16.2 1.0 O B:GLY223 2.1 15.6 1.0 O B:HOH810 2.1 11.8 1.0 O B:HOH606 2.1 12.3 1.0 O B:HOH646 2.2 12.2 1.0 C B:GLY223 3.2 18.4 1.0 C B:GLY355 3.2 13.5 1.0 CA B:GLY223 3.8 11.5 1.0 CA B:GLY355 3.9 15.8 1.0 O B:HOH827 4.1 15.2 1.0 N B:VAL356 4.2 15.9 1.0 O B:HOH604 4.2 15.7 1.0 OD2 B:ASP383 4.2 16.8 1.0 N B:TYR224 4.2 11.5 1.0 O B:HOH825 4.3 22.1 1.0 O B:HOH608 4.3 12.7 1.0 OD1 B:ASP383 4.4 17.1 1.0 CA B:VAL356 4.4 12.6 1.0 O B:HOH720 4.5 20.5 1.0 CA B:TYR224 4.5 13.5 1.0 C B:TYR224 4.5 11.0 1.0 O B:GLU163 4.6 12.1 1.0 N B:GLN225 4.6 15.5 1.0 CG B:ASP383 4.7 14.8 1.0 CG B:GLU163 4.9 18.1 1.0 CG B:GLN225 4.9 13.6 1.0 CG2 B:VAL356 4.9 15.7 1.0 O B:TYR224 4.9 12.9 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