Chlorine in PDB 6ub3: Crystal Structure of A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV) with Laminaribiose at the Surface- Binding Site

The structure of Crystal Structure of A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV) with Laminaribiose at the Surface- Binding Site, PDB code: 6ub3 was solved by C.R.Santos, E.A.Lima, F.Mandelli, M.T.Murakami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.18 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	157.024, 46.693, 115.252, 90.00, 119.70, 90.00
R / Rfree (%)	17.5 / 20.9

The binding sites of Chlorine atom in the Crystal Structure of A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV) with Laminaribiose at the Surface- Binding Site (pdb code 6ub3). 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 IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV) with Laminaribiose at the Surface- Binding Site, PDB code: 6ub3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV) with Laminaribiose at the Surface- Binding Site


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 IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV) with Laminaribiose at the Surface- Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:31.6 occ:1.00 OG A:SER136 3.0 28.7 1.0 N A:SER136 3.2 26.2 1.0 O A:HOH704 3.2 45.9 1.0 O A:HOH486 3.3 36.2 1.0 N A:TYR168 3.5 26.6 1.0 CB A:SER136 3.7 28.1 1.0 CD1 A:TYR168 3.8 26.8 1.0 O A:HIS166 3.8 22.7 1.0 CA A:TRP167 3.8 25.1 1.0 CA A:THR135 3.9 25.4 1.0 C A:HIS166 3.9 23.9 1.0 CB A:THR135 3.9 25.1 1.0 C A:THR135 4.0 26.5 1.0 N A:TRP167 4.0 24.9 1.0 C A:TRP167 4.0 26.1 1.0 CA A:SER136 4.0 27.0 1.0 CB A:HIS166 4.2 23.9 1.0 CB A:TYR168 4.4 26.9 1.0 CA A:TYR168 4.5 26.4 1.0 CG A:TYR168 4.6 27.1 1.0 O A:TYR168 4.6 26.8 1.0 O A:HOH711 4.6 37.0 1.0 CG2 A:THR135 4.6 24.2 1.0 CE1 A:TYR168 4.7 26.8 1.0 O A:HOH468 4.7 44.0 1.0 CA A:HIS166 4.7 23.6 1.0 C A:SER136 5.0 27.0 1.0 OG1 A:THR135 5.0 25.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV) with Laminaribiose at the Surface- Binding Site


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 IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV) with Laminaribiose at the Surface- Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:42.1 occ:1.00 OG B:SER136 3.0 28.2 1.0 N B:SER136 3.1 28.0 1.0 O B:HOH490 3.2 42.2 1.0 CA B:THR135 3.6 26.9 1.0 CD2 B:TYR168 3.7 32.2 1.0 O B:HIS166 3.8 27.5 1.0 CB B:SER136 3.8 28.0 1.0 CB B:THR135 3.8 26.3 1.0 N B:TYR168 3.8 30.4 1.0 C B:HIS166 3.8 28.1 1.0 C B:THR135 3.8 27.8 1.0 CA B:TRP167 3.9 28.1 1.0 CB B:HIS166 3.9 29.2 1.0 N B:TRP167 3.9 28.7 1.0 CA B:SER136 4.0 26.9 1.0 C B:TRP167 4.2 28.7 1.0 CE2 B:TYR168 4.4 33.5 1.0 CA B:HIS166 4.5 28.7 1.0 CG2 B:THR135 4.5 26.6 1.0 O B:HOH596 4.5 39.2 1.0 CG B:TYR168 4.6 32.1 1.0 CB B:TYR168 4.7 32.6 1.0 O B:HOH516 4.7 44.2 1.0 OE2 B:GLU103 4.8 32.5 1.0 CA B:TYR168 4.8 31.9 1.0 C B:SER136 4.8 28.4 1.0 OG1 B:THR135 4.8 24.9 1.0 N B:THR135 5.0 27.6 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