Zinc in PDB 4nyu: 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: 4nyu 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)	46.87 / 2.03
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	85.528, 108.191, 93.858, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 22.8

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

Calcium

(Ca)

1 atom

The binding sites of Zinc atom in the Structure of Vibrio Cholerae Chitin De-N-Acetylase (pdb code 4nyu). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Structure of Vibrio Cholerae Chitin De-N-Acetylase, PDB code: 4nyu:

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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:Zn501 b:12.5 occ:1.00 OD1 A:ASP40 2.0 8.6 1.0 NE2 A:HIS101 2.1 18.0 1.0 NE2 A:HIS97 2.1 12.2 1.0 O A:ACT503 2.2 19.9 1.0 OXT A:ACT503 2.2 22.0 1.0 C A:ACT503 2.6 18.6 1.0 O A:HOH601 2.6 16.7 1.0 CD2 A:HIS101 2.8 18.6 1.0 CG A:ASP40 2.9 14.0 1.0 CD2 A:HIS97 3.0 10.5 1.0 CE1 A:HIS97 3.2 11.4 1.0 OD2 A:ASP40 3.2 20.8 1.0 CE1 A:HIS101 3.2 11.8 1.0 CB A:ASP39 4.0 12.1 1.0 CH3 A:ACT503 4.1 16.8 1.0 CG A:HIS101 4.1 13.0 1.0 ND1 A:HIS101 4.2 10.3 1.0 CG A:HIS97 4.2 8.4 1.0 OD2 A:ASP39 4.2 13.4 1.0 ND1 A:HIS97 4.2 13.3 1.0 NE2 A:HIS295 4.3 15.2 1.0 CB A:ASP40 4.3 15.3 1.0 N A:ASP40 4.5 10.8 1.0 CD2 A:HIS295 4.5 14.1 1.0 CG A:ASP39 4.6 15.0 1.0 CA A:PRO168 4.6 13.9 1.0 CA A:ASP40 4.7 12.1 1.0 OD1 A:ASN65 4.9 11.9 1.0 C A:ASP39 4.9 13.5 1.0 CB A:PRO168 4.9 10.4 1.0 N A:TYR169 5.0 19.8 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