Zinc in PDB 4nz1: 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: 4nz1 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)	29.05 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.394, 124.468, 62.244, 90.00, 111.00, 90.00
R / Rfree (%)	14.6 / 19.7

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

Chlorine	(Cl)	1 atom
Calcium	(Ca)	3 atoms

The binding sites of Zinc atom in the Structure of Vibrio Cholerae Chitin De-N-Acetylase (pdb code 4nz1). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Vibrio Cholerae Chitin De-N-Acetylase, PDB code: 4nz1:
Jump to Zinc binding site number: 1; 2;

Zinc 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 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:27.9 occ:1.00 O A:HOH941 1.9 31.1 1.0 NE2 A:HIS101 2.1 23.7 1.0 OD1 A:ASP40 2.2 13.9 1.0 NE2 A:HIS97 2.3 16.1 1.0 O7 A:NAG505 2.6 37.2 1.0 O3 A:NAG505 2.9 27.3 1.0 C7 A:NAG505 2.9 47.9 1.0 CD2 A:HIS101 2.9 19.1 1.0 CG A:ASP40 3.0 18.1 1.0 CD2 A:HIS97 3.1 14.1 1.0 OD2 A:ASP40 3.1 17.5 1.0 CE1 A:HIS101 3.2 20.5 1.0 C8 A:NAG505 3.4 40.2 1.0 CE1 A:HIS97 3.4 13.7 1.0 N2 A:NAG505 3.5 44.2 1.0 C3 A:NAG505 4.0 34.6 1.0 C2 A:NAG505 4.0 34.4 1.0 CB A:SER39 4.1 16.4 1.0 CG A:HIS101 4.1 21.4 1.0 NE2 A:HIS295 4.2 21.5 1.0 ND1 A:HIS101 4.2 16.5 1.0 CG A:HIS97 4.3 14.1 1.0 CA A:PRO168 4.4 13.2 1.0 ND1 A:HIS97 4.4 15.7 1.0 CB A:ASP40 4.5 17.1 1.0 CD2 A:HIS295 4.5 20.8 1.0 N A:TYR169 4.7 14.5 1.0 N A:ASP40 4.8 13.9 1.0 CB A:PRO168 4.8 20.2 1.0 OG A:SER39 4.8 27.9 1.0 OD1 A:ASN65 4.8 13.4 1.0 CA A:ASP40 4.9 15.3 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn501 b:18.9 occ:1.00 NE2 B:HIS101 2.1 14.2 1.0 OD1 B:ASP40 2.2 13.3 1.0 NE2 B:HIS97 2.2 16.3 1.0 O B:HOH668 2.4 18.2 1.0 O B:HOH605 2.5 24.7 1.0 O B:HOH698 2.6 15.6 0.5 CD2 B:HIS101 3.0 17.5 1.0 CG B:ASP40 3.1 17.4 1.0 OG B:SER39 3.1 17.1 0.2 CE1 B:HIS101 3.1 15.1 1.0 CD2 B:HIS97 3.2 12.6 1.0 OD2 B:ASP40 3.3 22.9 1.0 CE1 B:HIS97 3.3 20.2 1.0 O B:HOH698 3.7 19.0 0.5 O B:HOH906 4.0 35.8 1.0 CG B:HIS101 4.2 14.6 1.0 ND1 B:HIS101 4.2 14.8 1.0 NE2 B:HIS295 4.2 19.9 1.0 CB B:SER39 4.2 16.2 0.8 CB B:SER39 4.3 16.8 0.2 CG B:HIS97 4.3 17.8 1.0 ND1 B:HIS97 4.4 18.1 1.0 CB B:ASP40 4.5 9.3 1.0 CD2 B:HIS295 4.6 20.7 1.0 CA B:PRO168 4.6 16.2 1.0 N B:ASP40 4.8 13.2 1.0 N B:TYR169 4.9 16.9 1.0 OG B:SER39 5.0 20.8 0.8 OD1 B:ASN65 5.0 16.5 1.0 CB B:PRO168 5.0 11.7 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