Chlorine in PDB 3wkh: Crystal Structure of Cellobiose 2-Epimerase in Complex with Epilactose

All present enzymatic activity of Crystal Structure of Cellobiose 2-Epimerase in Complex with Epilactose:
5.1.3.11;

The structure of Crystal Structure of Cellobiose 2-Epimerase in Complex with Epilactose, PDB code: 3wkh was solved by T.Fujiwara, W.Saburi, I.Tanaka, M.Yao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.77 / 1.64
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.869, 87.536, 93.962, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 18.8

The binding sites of Chlorine atom in the Crystal Structure of Cellobiose 2-Epimerase in Complex with Epilactose (pdb code 3wkh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Cellobiose 2-Epimerase in Complex with Epilactose, PDB code: 3wkh:

Chlorine binding site 1 out of 1 in the Crystal Structure of Cellobiose 2-Epimerase in Complex with Epilactose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Cellobiose 2-Epimerase in Complex with Epilactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:20.7 occ:1.00 O A:GLY387 3.1 11.8 1.0 O A:HOH642 3.2 15.1 1.0 N A:GLY387 3.3 10.9 1.0 C A:GLY387 3.3 12.2 1.0 N A:TYR389 3.4 8.7 1.0 N A:HIS390 3.5 8.4 1.0 NH1 A:ARG66 3.5 21.1 1.0 CA A:GLY387 3.6 10.7 1.0 CD2 A:TYR389 3.7 11.3 1.0 CD A:ARG66 3.8 12.5 1.0 CD2 A:HIS390 3.8 11.5 1.0 CA A:TYR389 4.0 9.6 1.0 CB A:TYR389 4.0 11.0 1.0 N A:PRO388 4.0 8.9 1.0 CZ A:ARG66 4.1 18.8 1.0 NE A:ARG66 4.2 13.7 1.0 C A:TYR389 4.2 8.6 1.0 NE1 A:TRP321 4.3 13.7 1.0 CB A:HIS390 4.3 10.0 1.0 CG A:HIS390 4.3 10.1 1.0 CG A:TYR389 4.3 9.3 1.0 C A:PRO388 4.3 10.2 1.0 C A:LYS386 4.4 10.7 1.0 CZ2 A:TRP321 4.4 11.2 1.0 CA A:HIS390 4.5 8.9 1.0 CA A:PRO388 4.6 8.7 1.0 O A:TRP385 4.7 12.5 1.0 CA A:LYS386 4.7 11.4 1.0 CE2 A:TYR389 4.7 10.5 1.0 CG A:ARG66 4.7 9.0 1.0 CE2 A:TRP321 4.7 10.6 1.0 O A:HOH647 4.8 13.9 1.0 NE2 A:HIS390 4.9 11.7 1.0 CB A:ARG66 5.0 7.8 1.0

T.Fujiwara, W.Saburi, H.Matsui, H.Mori, M.Yao. Structural Insights Into the Epimerization of Beta-1,4-Linked Oligosaccharides Catalyzed By Cellobiose 2-Epimerase, the Sole Enzyme Epimerizing Non-Anomeric Hydroxyl Groups of Unmodified Sugars J.Biol.Chem. V. 289 3405 2014.
ISSN: ISSN 0021-9258
PubMed: 24362032
DOI: 10.1074/JBC.M113.531251