Chlorine in PDB 6ub4: Crystal Structure (C2 Form) of A GH128 (Subgroup IV) Endo-Beta-1,3- Glucanase From Lentinula Edodes (LEGH128_IV) in Complex with Laminaritriose

The structure of Crystal Structure (C2 Form) of A GH128 (Subgroup IV) Endo-Beta-1,3- Glucanase From Lentinula Edodes (LEGH128_IV) in Complex with Laminaritriose, PDB code: 6ub4 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)	28.90 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	156.775, 46.520, 114.786, 90.00, 119.50, 90.00
R / Rfree (%)	18 / 21

The binding sites of Chlorine atom in the Crystal Structure (C2 Form) of A GH128 (Subgroup IV) Endo-Beta-1,3- Glucanase From Lentinula Edodes (LEGH128_IV) in Complex with Laminaritriose (pdb code 6ub4). 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 (C2 Form) of A GH128 (Subgroup IV) Endo-Beta-1,3- Glucanase From Lentinula Edodes (LEGH128_IV) in Complex with Laminaritriose, PDB code: 6ub4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure (C2 Form) of A GH128 (Subgroup IV) Endo-Beta-1,3- Glucanase From Lentinula Edodes (LEGH128_IV) in Complex with Laminaritriose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure (C2 Form) of A GH128 (Subgroup IV) Endo-Beta-1,3- Glucanase From Lentinula Edodes (LEGH128_IV) in Complex with Laminaritriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:38.5 occ:1.00 OH A:TYR178 2.6 20.5 1.0 O A:HIS166 2.7 20.0 1.0 O A:VAL134 2.8 20.6 1.0 O A:THR135 3.1 20.1 1.0 C A:THR135 3.3 21.0 1.0 CE2 A:TYR178 3.4 21.2 1.0 CZ A:TYR178 3.4 21.5 1.0 N A:HIS166 3.4 21.7 1.0 CB A:LEU165 3.6 23.5 1.0 N A:SER136 3.6 21.8 1.0 CA A:LEU165 3.7 22.6 1.0 CD2 A:LEU165 3.7 23.4 1.0 C A:HIS166 3.7 21.1 1.0 C A:VAL134 3.8 19.9 1.0 CA A:SER136 3.8 21.3 1.0 CG2 A:VAL134 3.9 20.0 1.0 C A:LEU165 4.0 22.4 1.0 CA A:HIS166 4.1 21.6 1.0 CG A:LEU165 4.2 24.4 1.0 CA A:THR135 4.2 20.6 1.0 CB A:SER136 4.3 22.9 1.0 N A:THR135 4.3 20.2 1.0 CD2 A:TYR178 4.7 21.1 1.0 CE1 A:TYR178 4.7 21.5 1.0 CD1 A:LEU165 4.7 23.8 1.0 CA A:VAL134 4.8 19.5 1.0 CB A:HIS166 4.8 21.0 1.0 CB A:VAL134 4.8 19.6 1.0 N A:TRP167 4.9 22.1 1.0 CD2 A:LEU144 5.0 22.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure (C2 Form) of A GH128 (Subgroup IV) Endo-Beta-1,3- Glucanase From Lentinula Edodes (LEGH128_IV) in Complex with Laminaritriose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure (C2 Form) of A GH128 (Subgroup IV) Endo-Beta-1,3- Glucanase From Lentinula Edodes (LEGH128_IV) in Complex with Laminaritriose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:22.9 occ:1.00 OG B:SER136 3.1 20.8 1.0 O B:HOH651 3.2 25.3 1.0 N B:SER136 3.2 18.1 1.0 O B:HOH824 3.3 41.3 1.0 N B:TYR168 3.6 18.3 1.0 CB B:SER136 3.8 19.9 1.0 O B:HIS166 3.8 16.9 1.0 CD1 B:TYR168 3.8 18.6 1.0 CA B:THR135 3.8 17.6 1.0 CA B:TRP167 3.9 17.6 1.0 CB B:THR135 3.9 16.8 1.0 C B:THR135 4.0 17.8 1.0 C B:HIS166 4.0 17.4 1.0 CA B:SER136 4.1 18.9 1.0 C B:TRP167 4.1 18.1 1.0 N B:TRP167 4.1 17.3 1.0 CB B:HIS166 4.2 17.0 1.0 O B:HOH852 4.5 28.1 1.0 CB B:TYR168 4.5 18.7 1.0 CA B:TYR168 4.6 18.5 1.0 CG2 B:THR135 4.6 16.4 1.0 CG B:TYR168 4.6 18.7 1.0 O B:TYR168 4.7 18.7 1.0 CE1 B:TYR168 4.7 18.7 1.0 CA B:HIS166 4.7 17.1 1.0 OG1 B:THR135 4.9 16.6 1.0 O B:HOH677 4.9 34.1 1.0 C B:SER136 5.0 19.0 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