Calcium in PDB 4nz4: 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: 4nz4 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)	47.35 / 1.94
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.478, 111.849, 69.043, 90.00, 93.66, 90.00
R / Rfree (%)	16.6 / 21.1

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 Calcium atom in the Structure of Vibrio Cholerae Chitin De-N-Acetylase (pdb code 4nz4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Vibrio Cholerae Chitin De-N-Acetylase, PDB code: 4nz4:
Jump to Calcium binding site number: 1; 2;

Calcium 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 Calcium with other atoms in the Ca 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:Ca502 b:15.8 occ:1.00 O A:GLY355 2.2 14.7 1.0 O A:GLY223 2.3 17.3 1.0 O A:HOH602 2.3 13.6 1.0 O A:HOH603 2.3 16.1 1.0 O A:HOH601 2.4 16.9 1.0 O A:HOH604 2.5 11.7 1.0 C A:GLY355 3.3 14.3 1.0 C A:GLY223 3.4 11.8 1.0 CA A:GLY223 4.0 18.3 1.0 CA A:GLY355 4.2 17.8 1.0 N A:VAL356 4.3 20.2 1.0 O A:HOH639 4.3 20.7 1.0 O A:HOH844 4.4 16.3 1.0 OD1 A:ASP383 4.4 16.2 1.0 CA A:VAL356 4.4 14.4 1.0 N A:TYR224 4.5 15.7 1.0 OD2 A:ASP383 4.5 16.9 1.0 O A:HOH644 4.6 18.0 1.0 O A:HOH812 4.6 30.9 1.0 O A:HOH813 4.6 33.3 1.0 C A:TYR224 4.7 15.0 1.0 O A:GLU163 4.7 16.4 1.0 CA A:TYR224 4.7 15.3 1.0 N A:GLN225 4.8 15.2 1.0 CG A:ASP383 4.8 14.1 1.0 CG A:GLU163 4.9 19.3 1.0 CG A:GLN225 5.0 17.5 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca502 b:15.7 occ:1.00 O B:HOH602 2.2 13.9 1.0 O B:GLY223 2.2 17.0 1.0 O B:HOH601 2.3 18.5 1.0 O B:GLY355 2.3 19.4 1.0 O B:HOH603 2.4 12.2 1.0 O B:HOH750 2.4 16.1 1.0 C B:GLY223 3.3 15.0 1.0 C B:GLY355 3.4 16.3 1.0 CA B:GLY223 3.9 17.1 1.0 CA B:GLY355 4.2 22.2 1.0 O B:HOH616 4.4 14.2 1.0 N B:VAL356 4.4 15.9 1.0 OD2 B:ASP383 4.4 18.0 1.0 O B:HOH639 4.4 23.3 1.0 O B:HOH751 4.4 28.6 1.0 OD1 B:ASP383 4.4 16.6 1.0 N B:TYR224 4.4 17.5 1.0 CA B:VAL356 4.5 17.4 1.0 O B:HOH627 4.6 19.9 1.0 O B:HOH723 4.6 28.6 1.0 C B:TYR224 4.6 14.3 1.0 N B:GLN225 4.7 14.8 1.0 CA B:TYR224 4.7 16.6 1.0 CG B:ASP383 4.8 17.3 1.0 O B:GLU163 4.8 16.4 1.0 CG B:GLU163 4.9 15.2 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