Chlorine in PDB 2y8u: A. Nidulans Chitin Deacetylase

The structure of A. Nidulans Chitin Deacetylase, PDB code: 2y8u was solved by G.Penman, L.M.Gay, D.M.F.Van Aalten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	84.90 / 1.99
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.640, 64.520, 86.540, 90.00, 101.16, 90.00
R / Rfree (%)	15.7 / 20.5

The structure of A. Nidulans Chitin Deacetylase also contains other interesting chemical elements:

Cobalt	(Co)	2 atoms
Sodium	(Na)	3 atoms

The binding sites of Chlorine atom in the A. Nidulans Chitin Deacetylase (pdb code 2y8u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the A. Nidulans Chitin Deacetylase, PDB code: 2y8u:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the A. Nidulans Chitin Deacetylase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A. Nidulans Chitin Deacetylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1242 b:86.8 occ:1.00 CD2 A:PHE179 3.6 20.2 1.0 NH2 A:ARG209 3.9 48.2 1.0 CE2 A:PHE179 4.0 21.8 1.0 CG2 A:ILE175 4.1 23.3 1.0 OE1 A:GLN180 4.1 34.0 1.0 CD1 A:LEU183 4.3 20.8 1.0 O A:ILE175 4.7 19.9 1.0 CG A:PHE179 4.7 16.1 1.0 CB A:PHE179 5.0 15.5 1.0

Chlorine binding site 2 out of 2 in the A. Nidulans Chitin Deacetylase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A. Nidulans Chitin Deacetylase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1240 b:57.9 occ:1.00 O B:HOH2029 2.8 26.9 1.0 CD B:ARG118 3.6 32.3 1.0 NH1 B:ARG118 3.9 33.9 1.0 CG B:ARG118 4.2 24.9 1.0 CB B:ARG118 4.3 22.6 1.0 CE2 B:TYR99 4.4 24.4 1.0 O B:ARG118 4.5 20.6 1.0 OE1 B:GLU121 4.6 38.4 1.0 NE B:ARG118 4.6 31.1 1.0 CZ B:TYR99 4.7 26.0 1.0 CG1 B:VAL122 4.7 28.1 1.0 CZ B:ARG118 4.7 33.2 1.0 CA B:ARG118 4.9 21.7 1.0 OH B:TYR99 4.9 31.8 1.0 CD2 B:TYR99 4.9 22.1 1.0

Z.Liu, B.Westereng, G.Methiese, D.M.F.Van Aalten, S.J.Horn, G.Vaaje-Kolstad, V.G.H.Eijsink. Cloning and Characterization of A Broad-Specificity Chitin Deacetylase From Aspergillus Nidulans Fgsc A4 To Be Published.