Cobalt 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:

Sodium	(Na)	3 atoms
Chlorine	(Cl)	2 atoms

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

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


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of A. Nidulans Chitin Deacetylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Co1239 b:21.1 occ:1.00 O1 A:PO41238 2.0 45.1 1.0 NE2 A:HIS101 2.0 18.1 1.0 OD1 A:ASP48 2.0 14.3 1.0 NE2 A:HIS97 2.1 17.0 1.0 O A:HOH2007 2.6 27.2 1.0 O4 A:PO41238 2.9 42.2 1.0 CD2 A:HIS101 2.9 21.3 1.0 CD2 A:HIS97 2.9 11.4 1.0 CG A:ASP48 2.9 16.7 1.0 P A:PO41238 3.0 35.2 1.0 CE1 A:HIS101 3.1 22.7 1.0 OD2 A:ASP48 3.2 18.6 1.0 CE1 A:HIS97 3.2 13.9 1.0 O3 A:PO41238 3.7 39.8 1.0 CB A:ASP47 3.9 14.4 1.0 CG A:HIS101 4.1 19.9 1.0 OD2 A:ASP47 4.1 20.0 1.0 CG A:HIS97 4.1 13.0 1.0 ND1 A:HIS101 4.2 23.8 1.0 O2 A:PO41238 4.2 40.1 1.0 ND1 A:HIS97 4.3 14.7 1.0 CB A:ASP48 4.3 16.7 1.0 CG A:ASP47 4.4 17.4 1.0 CD2 A:HIS196 4.5 19.5 1.0 N A:ASP48 4.6 14.8 1.0 NE2 A:HIS196 4.6 15.5 1.0 CA A:ASP48 4.7 15.5 1.0 CA A:PRO137 4.7 16.3 1.0 C A:ASP47 5.0 14.3 1.0 N A:TYR138 5.0 15.8 1.0

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


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of A. Nidulans Chitin Deacetylase within 5.0Å range: probe atom residue distance (Å) B Occ B:Co1239 b:19.6 occ:1.00 O1 B:PO41238 1.7 39.1 1.0 OD1 B:ASP48 1.9 18.9 1.0 NE2 B:HIS101 2.1 20.7 1.0 NE2 B:HIS97 2.1 12.9 1.0 P B:PO41238 2.8 36.1 1.0 CD2 B:HIS97 2.9 13.0 1.0 CD2 B:HIS101 2.9 17.2 1.0 CG B:ASP48 2.9 18.5 1.0 O2 B:PO41238 3.0 42.2 1.0 CE1 B:HIS101 3.2 20.8 1.0 OD2 B:ASP48 3.3 21.7 1.0 CE1 B:HIS97 3.3 18.0 1.0 O4 B:PO41238 3.4 41.1 1.0 CB B:ASP47 3.8 18.8 1.0 OD2 B:ASP47 4.0 26.2 1.0 O3 B:PO41238 4.0 38.8 1.0 CG B:HIS97 4.1 15.2 1.0 CG B:HIS101 4.1 20.1 1.0 ND1 B:HIS101 4.2 24.6 1.0 ND1 B:HIS97 4.3 15.2 1.0 CB B:ASP48 4.3 15.0 1.0 CG B:ASP47 4.4 24.3 1.0 CD2 B:HIS196 4.5 18.1 1.0 NE2 B:HIS196 4.6 18.2 1.0 N B:ASP48 4.7 15.7 1.0 CA B:ASP48 4.7 16.8 1.0 CA B:PRO137 4.8 14.0 1.0 C B:ASP47 4.9 16.7 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.