Zinc in PDB 4hd5: Crystal Structure of BC0361, A Polysaccharide Deacetylase From Bacillus Cereus

The structure of Crystal Structure of BC0361, A Polysaccharide Deacetylase From Bacillus Cereus, PDB code: 4hd5 was solved by V.E.Fadouloglou, M.Kokkinidis, N.M.Glykos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.47 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.455, 52.760, 93.638, 90.00, 95.82, 90.00
R / Rfree (%)	17.8 / 20.3

The binding sites of Zinc atom in the Crystal Structure of BC0361, A Polysaccharide Deacetylase From Bacillus Cereus (pdb code 4hd5). 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 Crystal Structure of BC0361, A Polysaccharide Deacetylase From Bacillus Cereus, PDB code: 4hd5:

Zinc binding site 1 out of 1 in the Crystal Structure of BC0361, A Polysaccharide Deacetylase From Bacillus Cereus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of BC0361, A Polysaccharide Deacetylase From Bacillus Cereus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:15.9 occ:1.00 OD1 A:ASP206 2.0 10.0 1.0 NE2 A:HIS264 2.2 4.1 1.0 OXT A:ACT402 2.3 22.0 1.0 NE2 A:HIS268 2.3 7.3 1.0 O A:ACT402 2.7 23.1 1.0 C A:ACT402 2.8 24.8 1.0 CD2 A:HIS264 3.0 4.2 1.0 CG A:ASP206 3.0 10.4 1.0 CD2 A:HIS268 3.2 6.9 1.0 CE1 A:HIS268 3.3 8.0 1.0 CE1 A:HIS264 3.3 4.1 1.0 OD2 A:ASP206 3.4 12.4 1.0 OA A:PXU302 3.7 4.6 1.0 CB A:ASP205 4.1 6.0 1.0 O A:HOH569 4.1 19.4 1.0 CG A:HIS264 4.2 3.9 1.0 CH3 A:ACT402 4.3 25.6 1.0 ND1 A:HIS264 4.3 4.0 1.0 ND1 A:HIS268 4.3 7.8 1.0 CB A:ASP206 4.4 9.6 1.0 CG A:HIS268 4.4 6.8 1.0 NE2 A:HIS150 4.5 8.4 1.0 CA A:ASP206 4.6 9.1 1.0 N A:ASP206 4.6 7.7 1.0 C A:ASP205 4.7 6.8 1.0 OD2 A:ASP205 4.7 6.6 1.0 CG A:ASP205 4.8 5.9 1.0 CD2 A:HIS150 4.8 8.0 1.0 CA A:ASP205 4.9 5.9 1.0 CA A:PXU302 5.0 4.4 1.0

V.E.Fadouloglou, M.Kapanidou, A.Agiomirgianaki, S.Arnaouteli, V.Bouriotis, N.M.Glykos, M.Kokkinidis. Structure Determination Through Homology Modelling and Torsion-Angle Simulated Annealing: Application to A Polysaccharide Deacetylase From Bacillus Cereus. Acta Crystallogr.,Sect.D V. 69 276 2013.
ISSN: ISSN 0907-4449
PubMed: 23385463
DOI: 10.1107/S0907444912045829