Chlorine in PDB 6uax: Crystal Structure of A GH128 (Subgroup II) Endo-Beta-1,3-Glucanase From Sorangium Cellulosum (SCGH128_II)

The structure of Crystal Structure of A GH128 (Subgroup II) Endo-Beta-1,3-Glucanase From Sorangium Cellulosum (SCGH128_II), PDB code: 6uax was solved by C.R.Santos, P.A.C.R.Costa, M.N.Domingues, E.A.Lima, F.Mandelli, P.S.Vieira, M.T.Murakami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.55 / 1.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.756, 65.628, 86.551, 90.00, 95.96, 90.00
R / Rfree (%)	12.9 / 16.7

The structure of Crystal Structure of A GH128 (Subgroup II) Endo-Beta-1,3-Glucanase From Sorangium Cellulosum (SCGH128_II) also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of A GH128 (Subgroup II) Endo-Beta-1,3-Glucanase From Sorangium Cellulosum (SCGH128_II) (pdb code 6uax). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A GH128 (Subgroup II) Endo-Beta-1,3-Glucanase From Sorangium Cellulosum (SCGH128_II), PDB code: 6uax:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A GH128 (Subgroup II) Endo-Beta-1,3-Glucanase From Sorangium Cellulosum (SCGH128_II)


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 A GH128 (Subgroup II) Endo-Beta-1,3-Glucanase From Sorangium Cellulosum (SCGH128_II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:16.7 occ:1.00 O A:HOH612 2.9 29.4 1.0 O A:HOH618 3.0 18.9 1.0 N A:TYR139 3.3 10.3 1.0 N A:ASP138 3.3 10.5 1.0 O A:ARG136 3.4 12.5 1.0 C A:ARG136 3.4 10.7 1.0 N A:PRO137 3.6 11.8 1.0 CB A:TYR139 3.8 10.1 1.0 CD A:PRO137 3.9 15.2 1.0 CA A:ASP138 3.9 9.8 1.0 CB A:ASP138 4.0 11.2 1.0 O A:VAL135 4.0 10.0 1.0 C A:ASP138 4.0 9.1 1.0 CA A:TYR139 4.1 9.7 1.0 C A:VAL135 4.2 10.3 1.0 CA A:ARG136 4.2 12.8 1.0 N A:ARG136 4.2 10.4 1.0 CE A:LYS111 4.2 21.2 1.0 C A:PRO137 4.3 10.2 1.0 NZ A:LYS111 4.5 27.5 1.0 CA A:PRO137 4.5 12.9 1.0 OD2 A:ASP138 4.7 19.5 1.0 CG A:ASP138 4.7 14.6 1.0 CG A:PRO137 4.8 16.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A GH128 (Subgroup II) Endo-Beta-1,3-Glucanase From Sorangium Cellulosum (SCGH128_II)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A GH128 (Subgroup II) Endo-Beta-1,3-Glucanase From Sorangium Cellulosum (SCGH128_II) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:16.6 occ:1.00 O B:HOH796 3.0 37.0 1.0 O B:HOH806 3.1 33.4 1.0 O B:HOH851 3.1 48.9 1.0 N B:ASP280 3.2 11.3 1.0 N B:LYS281 3.6 12.7 1.0 CG B:LYS281 3.7 14.4 1.0 CB B:PHE279 3.8 12.4 1.0 CD1 B:PHE279 3.9 12.5 1.0 CA B:PHE279 4.0 11.0 1.0 CA B:ASP280 4.0 12.1 1.0 CD B:LYS281 4.0 15.2 1.0 C B:PHE279 4.1 10.1 1.0 CE B:LYS281 4.2 19.6 1.0 CB B:LYS281 4.2 12.1 1.0 CB B:ASP280 4.2 14.1 1.0 CD1 B:ILE249 4.3 13.1 1.0 C B:ASP280 4.3 13.1 1.0 CG B:PHE279 4.4 12.1 1.0 CA B:LYS281 4.5 12.9 1.0 O B:HOH703 4.8 31.6 1.0 CG B:ASP280 4.9 20.1 1.0 O B:HOH507 4.9 42.1 1.0 OD2 B:ASP280 4.9 26.3 1.0 CE2 B:PHE238 5.0 14.3 1.0 O B:HOH844 5.0 34.5 1.0

C.R.Santos, E.A.Lima, F.Mandelli, M.T.Murakami. Structural Insights Into Beta-1,3-Glucan Cleavage By A Glycoside Hydrolase Family Nat.Chem.Biol. 2020.
ISSN: ESSN 1552-4469
DOI: 10.1038/S41589-020-0554-5