Chlorine in PDB 8ic7: Exo-Beta-D-Arabinofuranosidase EXOMA2 From Microbacterium Arabinogalactanolyticum in Complex with Beta-D-Arabinofuranose

The structure of Exo-Beta-D-Arabinofuranosidase EXOMA2 From Microbacterium Arabinogalactanolyticum in Complex with Beta-D-Arabinofuranose, PDB code: 8ic7 was solved by R.Fukushima, T.Kashima, A.Ishiwata, K.Fujita, S.Fushinobu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.87 / 1.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.763, 97.249, 139.681, 90, 101.25, 90
R / Rfree (%)	15.9 / 18.2

The structure of Exo-Beta-D-Arabinofuranosidase EXOMA2 From Microbacterium Arabinogalactanolyticum in Complex with Beta-D-Arabinofuranose also contains other interesting chemical elements:

Magnesium

(Mg)

15 atoms

The binding sites of Chlorine atom in the Exo-Beta-D-Arabinofuranosidase EXOMA2 From Microbacterium Arabinogalactanolyticum in Complex with Beta-D-Arabinofuranose (pdb code 8ic7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Exo-Beta-D-Arabinofuranosidase EXOMA2 From Microbacterium Arabinogalactanolyticum in Complex with Beta-D-Arabinofuranose, PDB code: 8ic7:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Exo-Beta-D-Arabinofuranosidase EXOMA2 From Microbacterium Arabinogalactanolyticum in Complex with Beta-D-Arabinofuranose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Exo-Beta-D-Arabinofuranosidase EXOMA2 From Microbacterium Arabinogalactanolyticum in Complex with Beta-D-Arabinofuranose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl909 b:42.7 occ:1.00 N B:ARG626 3.3 17.8 1.0 NE B:ARG626 3.5 18.2 1.0 CG B:ARG626 3.8 16.4 1.0 O B:HOH1095 3.9 35.3 1.0 CB B:ARG626 3.9 15.4 1.0 CA B:HIS625 4.0 23.9 1.0 C B:HIS625 4.1 20.6 1.0 O A:HOH1089 4.1 40.9 1.0 NH2 B:ARG626 4.2 20.0 1.0 CA B:ARG626 4.2 16.2 1.0 CD B:ARG626 4.3 16.3 1.0 CZ B:ARG626 4.3 16.9 1.0 CB B:HIS625 4.6 27.1 1.0 O B:ALA624 4.8 25.0 1.0 O B:ARG626 4.9 16.9 1.0

Chlorine binding site 2 out of 3 in the Exo-Beta-D-Arabinofuranosidase EXOMA2 From Microbacterium Arabinogalactanolyticum in Complex with Beta-D-Arabinofuranose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Exo-Beta-D-Arabinofuranosidase EXOMA2 From Microbacterium Arabinogalactanolyticum in Complex with Beta-D-Arabinofuranose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl910 b:24.2 occ:1.00 O B:HOH1714 3.0 35.5 1.0 O B:HOH1538 3.0 26.9 1.0 O B:HOH1430 3.1 27.5 1.0 N B:GLY460 3.3 15.9 1.0 C B:PHE458 3.5 15.9 1.0 CA B:PHE458 3.6 14.0 1.0 CA B:GLY460 3.7 15.8 1.0 N B:PRO459 3.8 14.7 1.0 O B:PHE458 3.8 14.9 1.0 CD B:PRO459 3.9 15.4 1.0 CB B:PHE458 4.0 16.0 1.0 CB B:ALA134 4.1 18.5 1.0 O B:HOH1627 4.1 37.4 1.0 N B:LEU461 4.1 17.2 1.0 O B:LEU132 4.2 17.6 1.0 C B:PRO459 4.3 16.0 1.0 N B:ALA134 4.4 16.5 1.0 C B:GLY460 4.4 17.9 1.0 CG B:PRO459 4.5 15.3 1.0 CD1 B:PHE458 4.5 15.0 1.0 C B:LEU132 4.6 17.0 1.0 CA B:PRO459 4.6 15.3 1.0 CG B:LEU461 4.8 19.1 1.0 CG B:PHE458 4.8 14.4 1.0 CA B:ALA134 4.8 19.1 1.0 N B:PHE458 4.9 15.0 1.0 O B:HOH1693 4.9 46.8 1.0 CA B:LEU132 4.9 15.8 1.0

Chlorine binding site 3 out of 3 in the Exo-Beta-D-Arabinofuranosidase EXOMA2 From Microbacterium Arabinogalactanolyticum in Complex with Beta-D-Arabinofuranose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Exo-Beta-D-Arabinofuranosidase EXOMA2 From Microbacterium Arabinogalactanolyticum in Complex with Beta-D-Arabinofuranose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl908 b:24.1 occ:1.00 O A:HOH1603 3.0 27.8 1.0 O A:HOH1349 3.0 23.4 1.0 N A:GLY460 3.3 13.7 1.0 C A:PHE458 3.5 12.3 1.0 CA A:PHE458 3.6 11.5 1.0 N A:PRO459 3.7 13.0 1.0 CA A:GLY460 3.7 14.0 1.0 O A:PHE458 3.9 12.8 1.0 CD A:PRO459 3.9 14.6 1.0 CB A:ALA134 4.0 15.1 1.0 CB A:PHE458 4.0 12.7 1.0 N A:LEU461 4.1 14.3 1.0 O A:HOH1498 4.1 31.5 1.0 O A:LEU132 4.2 15.1 1.0 C A:PRO459 4.3 12.7 1.0 N A:ALA134 4.4 14.2 1.0 C A:GLY460 4.4 14.8 1.0 CG A:PRO459 4.5 14.5 1.0 C A:LEU132 4.5 15.4 1.0 CD1 A:PHE458 4.5 12.1 1.0 O A:HOH1806 4.5 33.0 1.0 CA A:PRO459 4.6 13.5 1.0 CG A:LEU461 4.8 16.8 1.0 CG A:PHE458 4.8 13.2 1.0 CA A:ALA134 4.8 13.8 1.0 CA A:LEU132 4.9 15.0 1.0 N A:PHE458 4.9 12.8 1.0

M.Shimokawa, A.Ishiwata, T.Kashima, C.Nakashima, J.Li, R.Fukushima, T.Arakawa, C.Yamada, S.Fiushinobu, K.Fujita. Identification and Characterization of Endo- and Exo-Hydrolases Cleaving the Alpha- and Beta-D-Arabinofuranosidic Bonds of Lipoarabinomannan and Arabinogalactan of Mycobacteria To Be Published.