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Chlorine in PDB 9u98: Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex)

Protein crystallography data

The structure of Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex), PDB code: 9u98 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 (%) 18.1 / 22.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex) (pdb code 9u98). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Glycoside Hydrolase Family 1 Beta-Glucosidase (E318G Mutant) From Streptomyces Griseus (Sophorose Complex), PDB code: 9u98:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 9u98

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Chlorine binding site 1 out of 5 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:Cl502

b:45.2
occ:1.00
 O A:HOH649 2.7 17.4 1.0
N A:TRP85 2.8 17.0 1.0
O A:LEU121 3.0 20.0 1.0
O A:VAL83 3.2 17.7 1.0
CB A:TRP85 3.3 17.5 1.0
O A:HOH615 3.4 16.3 1.0
OH A:TYR148 3.6 21.4 1.0
O A:HOH685 3.6 14.8 1.0
CA A:HIS122 3.6 16.7 1.0
CA A:GLU84 3.6 18.0 1.0
CA A:TRP85 3.7 16.9 1.0
C A:GLU84 3.7 16.6 1.0
CD2 A:HIS122 3.7 18.5 1.0
OE1 A:GLU84 3.9 19.7 1.0
C A:LEU121 3.9 19.6 1.0
O A:THR125 4.2 21.0 1.0
CZ A:TYR148 4.2 20.3 1.0
C A:VAL83 4.2 19.9 1.0
N A:HIS122 4.2 17.3 1.0
CB A:HIS122 4.2 17.1 1.0
CD A:GLU84 4.2 20.4 1.0
CG A:HIS122 4.3 16.7 1.0
CE2 A:TYR148 4.3 20.7 1.0
N A:GLU84 4.4 17.4 1.0
N A:HIS123 4.4 17.1 1.0
C A:HIS122 4.6 16.1 1.0
CG A:TRP85 4.7 16.6 1.0
OE2 A:GLU84 4.7 19.6 1.0
NE2 A:HIS122 4.8 19.7 1.0
CB A:GLU84 4.8 18.3 1.0
CG A:GLU84 4.8 18.5 1.0
C A:TRP85 4.9 18.9 1.0
N A:ALA86 4.9 19.1 1.0
O A:GLU84 4.9 16.0 1.0

Chlorine binding site 2 out of 5 in 9u98

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Chlorine binding site 2 out of 5 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:Cl503

b:59.8
occ:1.00
 O C:HOH644 2.8 18.6 1.0
O A:HIS94 3.0 20.1 1.0
O A:HOH761 3.1 27.5 1.0
CG C:LEU55 3.5 25.7 1.0
C A:PHE95 3.6 23.0 1.0
C A:HIS94 3.6 22.0 1.0
N A:SER96 3.6 21.4 1.0
O A:PHE95 3.7 21.5 1.0
CA A:SER96 3.7 21.9 1.0
CB A:SER96 3.9 21.2 1.0
CB A:HIS94 3.9 25.9 1.0
CG A:PRO90 3.9 21.1 1.0
CD1 C:LEU55 4.0 24.7 1.0
CB C:LEU55 4.0 22.3 1.0
CD A:PRO90 4.1 19.8 1.0
N A:PHE95 4.2 21.0 1.0
OD1 C:ASP56 4.2 21.9 1.0
CA A:HIS94 4.3 23.5 1.0
CA A:PHE95 4.3 22.9 1.0
CA C:LEU55 4.6 23.3 1.0
CD2 C:LEU55 4.6 22.6 1.0
CG C:ASP56 4.6 23.8 1.0
OG A:SER96 4.7 18.9 1.0
O C:HOH621 4.8 20.0 1.0
OD2 C:ASP56 4.8 20.0 1.0

Chlorine binding site 3 out of 5 in 9u98

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Chlorine binding site 3 out of 5 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:Cl502

b:51.2
occ:1.00
 O B:HOH706 2.6 20.0 1.0
O B:GLY320 3.0 20.9 1.0
O B:HOH630 3.0 22.6 1.0
O B:TYR267 3.6 24.8 1.0
CB B:TYR267 3.6 24.4 1.0
CE3 B:TRP291 3.8 27.1 1.0
CA B:ILE321 3.8 21.9 1.0
CG2 B:THR287 3.9 28.9 1.0
C B:TYR267 4.0 22.3 1.0
CE2 B:TYR332 4.0 23.5 1.0
C B:GLY320 4.0 21.1 1.0
CA B:TYR267 4.1 23.7 1.0
OH B:TYR332 4.1 22.9 1.0
CB B:ILE321 4.2 22.2 1.0
CZ B:TYR332 4.3 23.6 1.0
CZ3 B:TRP291 4.3 26.0 1.0
N B:ILE321 4.4 21.9 1.0
CD1 B:TYR267 4.4 26.3 1.0
CG B:TYR267 4.5 23.4 1.0
CG1 B:ILE321 4.5 25.5 1.0
OG1 B:THR287 4.6 26.2 1.0
N B:ALA322 4.7 25.3 1.0
CB B:THR287 4.7 31.1 1.0
CE1 B:PHE371 4.7 21.6 1.0
CD2 B:TYR332 4.8 28.2 1.0
C B:ILE321 4.8 24.4 1.0
N B:THR268 4.9 20.4 1.0
CD2 B:TRP291 4.9 29.6 1.0

Chlorine binding site 4 out of 5 in 9u98

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Chlorine binding site 4 out of 5 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:Cl503

b:60.7
occ:1.00
 O B:ILE156 2.6 26.9 1.0
O B:HOH718 2.8 30.4 1.0
O B:VAL160 2.8 28.6 1.0
N B:VAL160 3.2 25.9 1.0
N B:GLU158 3.3 26.4 1.0
C B:SER157 3.4 25.1 1.0
C B:GLU158 3.4 24.5 1.0
CA B:GLU158 3.4 30.1 1.0
N B:GLY159 3.5 25.4 1.0
O B:SER157 3.5 28.2 1.0
CG1 B:ILE220 3.6 23.9 1.0
C B:VAL160 3.7 26.3 1.0
CB B:VAL160 3.7 30.2 1.0
C B:ILE156 3.7 26.4 1.0
CA B:VAL160 3.7 29.0 1.0
CD1 B:ILE220 3.8 24.5 1.0
CA B:SER157 4.0 24.8 1.0
O B:GLU158 4.0 23.2 1.0
N B:SER157 4.3 24.7 1.0
C B:GLY159 4.3 24.7 1.0
CB B:ALA218 4.3 31.3 1.0
O B:ALA218 4.4 31.1 1.0
CA B:GLY159 4.5 24.4 1.0
CG2 B:VAL160 4.6 32.8 1.0
CG1 B:VAL160 4.7 28.2 1.0
CA B:ILE156 4.9 25.2 1.0
N B:SER161 4.9 25.3 1.0
CB B:GLU158 4.9 37.7 1.0
CB B:ILE220 5.0 22.9 1.0

Chlorine binding site 5 out of 5 in 9u98

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Chlorine binding site 5 out of 5 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:Cl502

b:44.9
occ:1.00
 OE1 C:GLU363 2.6 37.4 1.0
OD1 C:ASN361 2.8 20.4 1.0
O C:HOH692 3.0 19.6 1.0
NE1 C:TRP356 3.2 21.3 1.0
ND2 C:ASN361 3.3 19.9 1.0
CD2 C:PHE371 3.3 22.7 1.0
CG C:ASN361 3.3 21.6 1.0
O4 H:BGC2 3.6 39.5 1.0
CB C:GLU363 3.6 28.0 1.0
CD C:GLU363 3.7 38.5 1.0
CB C:PHE371 3.9 23.0 1.0
CG C:PHE371 3.9 21.8 1.0
CG C:GLU363 4.0 34.5 1.0
CE2 C:TRP356 4.0 21.3 1.0
NE2 C:GLN29 4.1 21.2 1.0
CA C:GLU363 4.1 25.5 1.0
CE2 C:PHE371 4.1 21.0 1.0
CD1 C:TRP356 4.2 20.1 1.0
O C:ALA369 4.2 29.4 1.0
CZ2 C:TRP356 4.3 21.3 1.0
N C:GLU363 4.5 22.8 1.0
O C:ASN361 4.7 21.1 1.0
C6 H:BGC2 4.7 42.9 1.0
CB C:ASN361 4.7 21.6 1.0
N C:ASN361 4.8 20.4 1.0
N C:PHE371 4.8 25.4 1.0
C C:ASN361 4.8 22.3 1.0
OE2 C:GLU363 4.8 35.4 1.0
C4 H:BGC2 4.9 40.9 1.0
C C:TYR362 4.9 21.2 1.0
O C:TYR362 4.9 21.9 1.0
CA C:ASN361 5.0 22.4 1.0
CA C:PHE371 5.0 22.7 1.0

Reference:

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.
Page generated: Sun Jul 13 17:20:48 2025

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