Zinc 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:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Vibrio Cholerae Chitin De-N-Acetylase, PDB code: 4oui:
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:30.3 occ:1.00 NE2 A:HIS101 2.1 24.6 1.0 OD1 A:ASP40 2.1 19.0 1.0 O A:HOH978 2.1 56.3 1.0 NE2 A:HIS97 2.2 13.4 1.0 O72 A:CTO503 2.3 42.7 1.0 C72 A:CTO503 2.7 39.7 1.0 O32 A:CTO503 2.9 32.1 1.0 CG A:ASP40 2.9 19.2 1.0 CE1 A:HIS101 3.0 19.1 1.0 CD2 A:HIS97 3.1 10.5 1.0 CD2 A:HIS101 3.1 17.4 1.0 OD2 A:ASP40 3.1 19.7 1.0 CE1 A:HIS97 3.2 14.8 1.0 C82 A:CTO503 3.4 35.1 1.0 N22 A:CTO503 3.6 59.4 1.0 CB A:SER39 4.0 12.8 1.0 C32 A:CTO503 4.0 42.3 1.0 ND1 A:HIS101 4.1 20.7 1.0 C22 A:CTO503 4.1 37.3 1.0 CG A:HIS101 4.2 18.8 1.0 CG A:HIS97 4.2 14.8 1.0 ND1 A:HIS97 4.3 17.1 1.0 NE2 A:HIS295 4.3 22.1 1.0 CB A:ASP40 4.4 18.4 1.0 CA A:PRO168 4.5 14.7 1.0 CD2 A:HIS295 4.5 20.9 1.0 N A:ASP40 4.6 12.8 1.0 OG A:SER39 4.7 18.5 1.0 CA A:ASP40 4.8 15.3 1.0 N A:TYR169 4.8 12.5 1.0 C A:SER39 4.9 18.0 1.0 CB A:PRO168 4.9 15.3 1.0 OD1 A:ASN65 4.9 17.1 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:23.6 occ:1.00 NE2 B:HIS101 2.0 16.8 1.0 O B:HOH913 2.0 49.8 1.0 OD1 B:ASP40 2.1 16.0 1.0 NE2 B:HIS97 2.2 12.8 1.0 O72 B:CTO503 2.2 34.6 1.0 C72 B:CTO503 2.7 50.2 1.0 CD2 B:HIS97 2.9 13.3 1.0 CG B:ASP40 3.0 16.6 1.0 CD2 B:HIS101 3.0 16.1 1.0 CE1 B:HIS101 3.0 16.2 1.0 OD2 B:ASP40 3.1 23.9 1.0 C82 B:CTO503 3.2 40.9 1.0 O32 B:CTO503 3.2 26.8 1.0 CE1 B:HIS97 3.3 14.1 1.0 N22 B:CTO503 3.7 35.1 1.0 CB B:SER39 4.0 19.9 1.0 ND1 B:HIS101 4.1 15.8 1.0 CG B:HIS101 4.1 16.9 1.0 CG B:HIS97 4.2 17.2 1.0 C32 B:CTO503 4.3 31.2 1.0 ND1 B:HIS97 4.3 18.9 1.0 CB B:ASP40 4.4 20.4 1.0 C22 B:CTO503 4.4 27.9 1.0 CA B:PRO168 4.4 18.2 1.0 NE2 B:HIS295 4.5 20.7 1.0 N B:ASP40 4.7 15.2 1.0 CD2 B:HIS295 4.7 17.9 1.0 OG B:SER39 4.7 26.3 1.0 CB B:PRO168 4.8 16.2 1.0 N B:TYR169 4.8 13.7 1.0 CA B:ASP40 4.8 15.8 1.0 OD1 B:ASN65 4.8 15.3 1.0 C B:SER39 4.9 20.8 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