Chlorine in PDB 6ub2: Crystal Structure of A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV)

The structure of Crystal Structure of A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV), PDB code: 6ub2 was solved by C.R.Santos, 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)	49.09 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.817, 75.159, 99.450, 90.00, 103.60, 90.00
R / Rfree (%)	17.2 / 21.3

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) (pdb code 6ub2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 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), PDB code: 6ub2:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV)


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) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:24.2 occ:1.00 OG A:SER136 3.0 22.3 1.0 O A:HOH714 3.0 31.5 1.0 N A:SER136 3.3 19.4 1.0 N A:TYR168 3.6 19.9 1.0 CB A:SER136 3.7 21.2 1.0 CA A:TRP167 3.8 19.7 1.0 CB A:THR135 3.8 20.4 1.0 CA A:THR135 3.9 19.3 1.0 CD2 A:TYR168 3.9 21.3 1.0 O A:HIS166 3.9 19.4 1.0 N A:TRP167 3.9 19.6 1.0 C A:HIS166 4.0 18.8 1.0 C A:TRP167 4.0 20.1 1.0 C A:THR135 4.1 20.2 1.0 CA A:SER136 4.1 20.6 1.0 CB A:HIS166 4.2 16.7 1.0 CG2 A:THR135 4.5 20.5 1.0 CB A:TYR168 4.5 21.6 1.0 O A:TYR168 4.6 25.2 1.0 CA A:TYR168 4.6 22.1 1.0 CG A:TYR168 4.7 22.4 1.0 CE2 A:TYR168 4.7 21.9 1.0 CA A:HIS166 4.7 17.9 1.0 OG1 A:THR135 4.9 21.1 1.0 C A:SER136 5.0 20.9 1.0 O A:HOH711 5.0 40.1 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV)


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) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:34.4 occ:1.00 OG B:SER136 2.9 31.3 1.0 O B:HOH718 3.0 40.5 1.0 N B:SER136 3.1 23.5 1.0 CB B:SER136 3.6 28.2 1.0 N B:TYR168 3.6 21.8 1.0 CA B:THR135 3.7 21.7 1.0 CD1 B:TYR168 3.8 24.1 1.0 CB B:THR135 3.8 23.9 1.0 CA B:TRP167 3.8 22.2 1.0 O B:HIS166 3.9 24.3 1.0 C B:THR135 3.9 22.5 1.0 CA B:SER136 3.9 26.7 1.0 C B:HIS166 3.9 22.2 1.0 N B:TRP167 4.0 21.5 1.0 C B:TRP167 4.0 22.0 1.0 CB B:HIS166 4.1 21.3 1.0 CG2 B:THR135 4.5 23.9 1.0 O B:HOH899 4.5 39.7 1.0 CB B:TYR168 4.6 22.8 1.0 CE1 B:TYR168 4.6 22.9 1.0 CA B:HIS166 4.6 21.4 1.0 CA B:TYR168 4.6 23.4 1.0 CG B:TYR168 4.7 23.5 1.0 O B:TYR168 4.7 25.6 1.0 C B:SER136 4.9 29.0 1.0 OG1 B:THR135 5.0 23.5 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl502 b:32.9 occ:1.00 OG C:SER136 2.8 25.3 1.0 O C:HOH835 3.1 45.7 1.0 N C:SER136 3.1 23.7 1.0 O C:HOH720 3.3 32.5 1.0 N C:TYR168 3.6 20.8 1.0 CB C:SER136 3.7 25.0 1.0 CD1 C:TYR168 3.8 23.1 1.0 CA C:TRP167 3.8 21.4 1.0 CA C:THR135 3.8 24.4 1.0 CB C:THR135 3.9 25.2 1.0 O C:HIS166 3.9 23.3 1.0 C C:THR135 3.9 24.4 1.0 C C:HIS166 4.0 20.6 1.0 CA C:SER136 4.0 25.2 1.0 N C:TRP167 4.0 21.1 1.0 C C:TRP167 4.1 20.3 1.0 O C:HOH810 4.1 40.0 1.0 CB C:HIS166 4.1 17.9 1.0 CE1 C:TYR168 4.6 23.9 1.0 CB C:TYR168 4.6 22.2 1.0 CG C:TYR168 4.7 22.7 1.0 CA C:TYR168 4.7 21.9 1.0 CA C:HIS166 4.7 19.8 1.0 O C:TYR168 4.7 23.5 1.0 CG2 C:THR135 4.7 26.5 1.0 C C:SER136 4.8 25.9 1.0 OG1 C:THR135 4.8 23.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A GH128 (Subgroup IV) Endo-Beta-1,3-Glucanase From Lentinula Edodes (LEGH128_IV) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl504 b:31.4 occ:1.00 O D:HOH652 3.1 32.5 1.0 O D:HOH897 3.1 31.3 1.0 OG D:SER136 3.1 20.6 1.0 N D:SER136 3.2 21.2 1.0 CA D:THR135 3.7 18.8 1.0 N D:TYR168 3.8 18.4 1.0 CB D:THR135 3.8 20.2 1.0 CD2 D:TYR168 3.8 19.5 1.0 O D:HIS166 3.9 17.6 1.0 CA D:TRP167 3.9 18.7 1.0 C D:HIS166 3.9 18.9 1.0 CB D:SER136 3.9 22.5 1.0 C D:THR135 4.0 19.3 1.0 N D:TRP167 4.0 18.9 1.0 CB D:HIS166 4.1 20.1 1.0 CA D:SER136 4.1 21.9 1.0 C D:TRP167 4.1 18.6 1.0 O D:HOH951 4.4 28.9 1.0 CG2 D:THR135 4.5 19.9 1.0 CE2 D:TYR168 4.5 18.3 1.0 CA D:HIS166 4.6 18.3 1.0 CB D:TYR168 4.7 19.0 1.0 CG D:TYR168 4.7 19.5 1.0 CA D:TYR168 4.8 19.4 1.0 OG1 D:THR135 4.9 20.2 1.0 C D:SER136 4.9 22.2 1.0 O D:TYR168 5.0 20.9 1.0

C.R.Santos, E.A.Lima, F.Mandelli, P.S.Vieira, 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