Chlorine in PDB 8kaq: Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex)

The structure of Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex), PDB code: 8kaq was solved by H.Kumakura, S.Motouchi, H.Nakai, M.Nakajima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.82 / 2.13
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	91.793, 100.179, 96.048, 90, 102.87, 90
R / Rfree (%)	18.3 / 22.3

The binding sites of Chlorine atom in the Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex) (pdb code 8kaq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex), PDB code: 8kaq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:44.6 occ:1.00 O A:HOH646 2.7 17.1 1.0 N A:TRP85 2.8 17.2 1.0 O A:LEU121 3.0 19.6 1.0 O A:VAL83 3.2 18.0 1.0 CB A:TRP85 3.3 17.5 1.0 O A:HOH616 3.4 16.4 1.0 OH A:TYR148 3.6 21.4 1.0 O A:HOH669 3.6 14.7 1.0 CA A:HIS122 3.6 17.0 1.0 CA A:GLU84 3.6 18.0 1.0 CA A:TRP85 3.7 17.1 1.0 C A:GLU84 3.7 16.8 1.0 CD2 A:HIS122 3.7 18.5 1.0 OE1 A:GLU84 3.8 19.7 1.0 C A:LEU121 3.9 19.1 1.0 CZ A:TYR148 4.2 20.4 1.0 O A:THR125 4.2 20.6 1.0 C A:VAL83 4.2 19.6 1.0 N A:HIS122 4.2 17.4 1.0 CD A:GLU84 4.2 20.0 1.0 CB A:HIS122 4.3 17.3 1.0 CG A:HIS122 4.3 17.1 1.0 CE2 A:TYR148 4.3 20.6 1.0 N A:GLU84 4.4 17.7 1.0 N A:HIS123 4.4 17.2 1.0 C A:HIS122 4.6 16.5 1.0 CG A:TRP85 4.7 16.6 1.0 OE2 A:GLU84 4.7 19.4 1.0 CB A:GLU84 4.8 18.3 1.0 NE2 A:HIS122 4.8 19.6 1.0 CG A:GLU84 4.8 18.7 1.0 C A:TRP85 4.9 18.8 1.0 O A:GLU84 4.9 16.0 1.0 N A:ALA86 4.9 19.2 1.0

Chlorine binding site 2 out of 6 in the Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:60.7 occ:1.00 O C:HOH647 2.8 18.7 1.0 O A:HOH760 3.0 27.4 1.0 O A:HIS94 3.0 20.1 1.0 C A:PHE95 3.5 22.6 1.0 N A:SER96 3.5 21.5 1.0 C A:HIS94 3.5 22.1 1.0 CG C:LEU55 3.6 24.7 1.0 O A:PHE95 3.6 21.5 1.0 CA A:SER96 3.6 21.8 1.0 CB A:SER96 3.8 21.0 1.0 CB A:HIS94 3.9 26.1 1.0 CB C:LEU55 3.9 22.3 1.0 CG A:PRO90 4.0 20.9 1.0 CD1 C:LEU55 4.0 24.2 1.0 CD A:PRO90 4.1 20.0 1.0 N A:PHE95 4.1 21.3 1.0 OD1 C:ASP56 4.2 21.5 1.0 CA A:HIS94 4.3 23.6 1.0 CA A:PHE95 4.3 22.8 1.0 CG C:ASP56 4.6 23.0 1.0 CA C:LEU55 4.6 23.0 1.0 CD2 C:LEU55 4.7 22.8 1.0 OG A:SER96 4.7 18.9 1.0 O C:HOH623 4.8 20.0 1.0 OD2 C:ASP56 4.8 20.0 1.0 N C:ASP56 5.0 22.9 1.0

Chlorine binding site 3 out of 6 in the Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:50.7 occ:1.00 O B:HOH703 2.6 20.0 1.0 O B:GLY320 3.0 20.9 1.0 O B:HOH631 3.0 22.6 1.0 O B:TYR267 3.6 24.0 1.0 CB B:TYR267 3.6 23.9 1.0 CE3 B:TRP291 3.8 27.5 1.0 CA B:ILE321 3.8 22.1 1.0 CG2 B:THR287 3.9 29.6 1.0 C B:TYR267 4.0 22.4 1.0 CE2 B:TYR332 4.0 23.9 1.0 C B:GLY320 4.0 21.1 1.0 CA B:TYR267 4.1 23.4 1.0 OH B:TYR332 4.1 22.9 1.0 CB B:ILE321 4.2 22.4 1.0 CZ3 B:TRP291 4.3 26.5 1.0 CZ B:TYR332 4.3 23.8 1.0 N B:ILE321 4.4 21.8 1.0 CD1 B:TYR267 4.4 25.5 1.0 CG B:TYR267 4.5 23.4 1.0 CG1 B:ILE321 4.5 24.8 1.0 OG1 B:THR287 4.6 27.2 1.0 N B:ALA322 4.7 24.8 1.0 CE1 B:PHE371 4.7 21.5 1.0 CB B:THR287 4.7 31.1 1.0 CD2 B:TYR332 4.8 27.3 1.0 C B:ILE321 4.8 24.2 1.0 CD2 B:TRP291 4.9 29.2 1.0 N B:THR268 4.9 20.9 1.0

Chlorine binding site 4 out of 6 in the Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:59.9 occ:1.00 O B:ILE156 2.6 27.1 1.0 O B:HOH718 2.7 29.9 1.0 O B:VAL160 2.9 28.6 1.0 N B:VAL160 3.2 26.1 1.0 N B:GLU158 3.3 27.3 1.0 C B:SER157 3.3 25.8 1.0 CA B:GLU158 3.4 30.5 1.0 C B:GLU158 3.4 25.5 1.0 O B:SER157 3.5 27.9 1.0 N B:GLY159 3.5 25.6 1.0 CG1 B:ILE220 3.6 23.9 1.0 C B:VAL160 3.7 26.8 1.0 C B:ILE156 3.7 26.1 1.0 CB B:VAL160 3.7 29.6 1.0 CA B:VAL160 3.7 28.6 1.0 CD1 B:ILE220 3.8 24.4 1.0 CA B:SER157 3.9 25.2 1.0 O B:GLU158 4.1 23.8 1.0 CB B:ALA218 4.3 31.0 1.0 N B:SER157 4.3 25.0 1.0 C B:GLY159 4.3 24.8 1.0 O B:ALA218 4.5 30.9 1.0 CA B:GLY159 4.5 24.7 1.0 CG2 B:VAL160 4.6 31.7 1.0 CG1 B:VAL160 4.7 28.4 1.0 CA B:ILE156 4.9 24.8 1.0 CB B:GLU158 4.9 37.8 1.0 N B:SER161 4.9 26.3 1.0 CB B:ILE220 5.0 23.3 1.0

Chlorine binding site 5 out of 6 in the Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl506 b:44.6 occ:1.00 OE1 C:GLU363 2.6 36.5 1.0 OD1 C:ASN361 2.8 20.3 1.0 O C:HOH692 3.0 19.8 1.0 NE1 C:TRP356 3.2 20.9 1.0 ND2 C:ASN361 3.3 19.9 1.0 CD2 C:PHE371 3.3 22.5 1.0 CG C:ASN361 3.3 21.2 1.0 O4 C:BGC501 3.6 39.6 1.0 CB C:GLU363 3.6 27.9 1.0 CD C:GLU363 3.7 36.6 1.0 CB C:PHE371 3.9 22.9 1.0 CG C:PHE371 3.9 21.8 1.0 CG C:GLU363 4.0 33.0 1.0 CE2 C:TRP356 4.1 21.0 1.0 NE2 C:GLN29 4.1 20.7 1.0 CE2 C:PHE371 4.1 21.2 1.0 CA C:GLU363 4.1 25.4 1.0 CD1 C:TRP356 4.2 20.0 1.0 O C:ALA369 4.2 28.6 1.0 CZ2 C:TRP356 4.3 21.0 1.0 N C:GLU363 4.5 22.8 1.0 O C:ASN361 4.6 21.3 1.0 CB C:ASN361 4.7 21.3 1.0 N C:PHE371 4.8 25.1 1.0 N C:ASN361 4.8 20.3 1.0 OE2 C:GLU363 4.8 34.8 1.0 C C:ASN361 4.8 21.8 1.0 C4 C:BGC501 4.9 40.4 1.0 C C:TYR362 4.9 21.2 1.0 O C:TYR362 4.9 21.6 1.0 C6 C:BGC501 4.9 40.8 1.0 CA C:ASN361 5.0 21.8 1.0 CA C:PHE371 5.0 22.7 1.0

Chlorine binding site 6 out of 6 in the Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl502 b:42.3 occ:1.00 NH2 B:ARG105 2.5 38.1 1.0 OD2 D:ASP59 2.6 18.9 1.0 O B:ALA98 2.8 23.1 1.0 NH2 D:ARG63 3.2 25.2 1.0 ND1 D:HIS62 3.5 26.5 1.0 CG D:HIS62 3.6 27.5 1.0 CG D:ASP59 3.6 18.0 1.0 C B:ALA98 3.7 21.2 1.0 CB B:ALA101 3.8 24.0 1.0 CZ B:ARG105 3.8 49.5 1.0 N B:HIS102 3.9 20.5 1.0 CA B:ALA98 3.9 22.0 1.0 CE1 D:HIS62 3.9 26.2 1.0 CB D:HIS62 4.0 23.3 1.0 OD1 D:ASP59 4.0 19.0 1.0 CD2 D:HIS62 4.1 28.8 1.0 CZ D:ARG63 4.1 24.7 1.0 NE D:ARG63 4.2 23.4 1.0 C B:ALA101 4.3 22.4 1.0 NE2 D:HIS62 4.3 25.7 1.0 CB B:ALA98 4.4 20.8 1.0 CA B:HIS102 4.4 20.8 1.0 NE B:ARG105 4.5 47.6 1.0 CA B:ALA101 4.5 23.1 1.0 CB B:HIS102 4.6 20.5 1.0 NH1 B:ARG105 4.7 51.2 1.0 CB D:ASP59 4.9 17.7 1.0 N B:GLN99 4.9 20.6 1.0 O B:ALA101 5.0 22.9 1.0 O B:ARG97 5.0 22.9 1.0

H.Kumakura, S.Motouchi, H.Nakai, M.Nakajima. Identification of Beta-1,2-Glucan-Associated Glycoside Hydrolase Family 1 Beta-Glucosidase From Streptomyces Griseus To Be Published.