Calcium in PDB 4ny2: 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: 4ny2 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)	29.50 / 1.88
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.900, 112.540, 69.360, 90.00, 94.05, 90.00
R / Rfree (%)	14.7 / 18.5

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 4ny2). 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: 4ny2:
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:16.4 occ:1.00 O A:GLY355 2.2 16.6 1.0 O A:HOH653 2.2 18.6 1.0 O A:GLY223 2.3 14.3 1.0 O A:HOH608 2.4 12.5 1.0 O A:HOH604 2.4 19.3 1.0 O A:HOH605 2.4 14.2 1.0 C A:GLY223 3.4 13.7 1.0 C A:GLY355 3.4 16.5 1.0 CA A:GLY223 4.0 17.5 1.0 CA A:GLY355 4.2 17.0 1.0 N A:VAL356 4.3 16.5 1.0 O A:HOH610 4.4 18.0 1.0 OD2 A:ASP383 4.4 21.4 1.0 O A:HOH749 4.4 35.3 1.0 O A:HOH739 4.4 25.4 1.0 CA A:VAL356 4.5 12.3 1.0 N A:TYR224 4.5 12.5 1.0 OD1 A:ASP383 4.5 15.5 1.0 O A:HOH852 4.5 39.0 1.0 O A:HOH644 4.5 15.7 1.0 C A:TYR224 4.7 15.5 1.0 CA A:TYR224 4.8 14.4 1.0 O A:GLU163 4.8 16.0 1.0 CG A:ASP383 4.8 20.5 1.0 N A:GLN225 4.8 15.5 1.0 CG A:GLU163 4.9 19.0 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:16.5 occ:1.00 O B:GLY355 2.2 19.2 1.0 O B:HOH606 2.3 21.3 1.0 O B:GLY223 2.3 15.2 1.0 O B:HOH604 2.3 15.5 1.0 O B:HOH611 2.4 16.1 1.0 O B:HOH603 2.4 16.8 1.0 C B:GLY355 3.4 16.3 1.0 C B:GLY223 3.4 16.9 1.0 CA B:GLY223 4.0 16.7 1.0 O B:HOH630 4.2 25.2 1.0 CA B:GLY355 4.2 16.8 1.0 N B:VAL356 4.4 14.1 1.0 O B:HOH607 4.4 17.3 1.0 OD2 B:ASP383 4.4 18.2 1.0 OD1 B:ASP383 4.4 16.6 1.0 CA B:VAL356 4.5 15.5 1.0 N B:TYR224 4.5 15.4 1.0 O B:HOH760 4.6 24.1 1.0 O B:HOH667 4.7 19.3 1.0 CG B:ASP383 4.8 20.7 1.0 CG B:GLU163 4.8 23.1 1.0 C B:TYR224 4.8 15.3 1.0 CA B:TYR224 4.8 16.6 1.0 N B:GLN225 4.8 11.9 1.0 O B:GLU163 4.8 17.5 1.0 O B:HOH866 4.8 29.2 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