Chlorine in PDB 6ub6: Crystal Structure of A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV) in Complex with Laminaritetraose

The structure of Crystal Structure of A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV) in Complex with Laminaritetraose, PDB code: 6ub6 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)	49.25 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.871, 47.678, 52.549, 90.00, 110.42, 90.00
R / Rfree (%)	17.4 / 19.1

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) in Complex with Laminaritetraose (pdb code 6ub6). 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 A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV) in Complex with Laminaritetraose, PDB code: 6ub6:

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


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) in Complex with Laminaritetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:18.9 occ:1.00 OG A:SER136 2.9 15.7 1.0 O A:HOH607 3.1 17.5 1.0 N A:SER136 3.1 12.7 1.0 N A:TYR168 3.5 10.6 1.0 CA A:TRP167 3.7 10.5 1.0 CB A:SER136 3.7 13.1 1.0 O A:HIS166 3.8 11.2 1.0 CA A:THR135 3.8 11.8 1.0 CB A:THR135 3.8 12.2 1.0 C A:HIS166 3.9 10.5 1.0 CD1 A:TYR168 3.9 12.0 1.0 N A:TRP167 3.9 10.4 1.0 C A:THR135 3.9 12.4 1.0 C A:TRP167 3.9 10.5 1.0 CA A:SER136 4.0 13.0 1.0 CB A:HIS166 4.1 9.9 1.0 O A:HOH715 4.4 37.6 1.0 O A:HOH774 4.4 20.9 1.0 CB A:TYR168 4.5 11.3 1.0 CA A:TYR168 4.6 11.0 1.0 CG2 A:THR135 4.6 12.2 1.0 O A:TYR168 4.6 13.4 1.0 CA A:HIS166 4.6 10.2 1.0 CG A:TYR168 4.6 11.4 1.0 CE1 A:TYR168 4.7 12.1 1.0 OG1 A:THR135 4.8 12.1 1.0 C A:SER136 4.9 13.0 1.0 O A:HOH573 4.9 17.7 1.0 O A:TRP167 5.0 11.0 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