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Chlorine in PDB 4gze: Crystal Structure of 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form)

Enzymatic activity of Crystal Structure of 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form)

All present enzymatic activity of Crystal Structure of 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form):
3.2.1.86;

Protein crystallography data

The structure of Crystal Structure of 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form), PDB code: 4gze was solved by K.Michalska, C.Hatzos-Skintges, J.Bearden, A.Joachimiak, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.31
Space group P 31
Cell size a, b, c (Å), α, β, γ (°) 96.086, 96.086, 289.140, 90.00, 90.00, 120.00
R / Rfree (%) 17.4 / 21.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form) (pdb code 4gze). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form), PDB code: 4gze:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4gze

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Chlorine binding site 1 out of 6 in the Crystal Structure of 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form)


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 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:50.7
occ:1.00
 NH1 A:ARG366 2.9 30.5 1.0
CD A:ARG366 3.9 30.6 1.0
CG A:ARG366 4.0 30.7 1.0
CZ A:ARG366 4.1 30.4 1.0
NE1 A:TRP362 4.2 24.2 1.0
CB A:ARG366 4.2 29.2 1.0
O A:HOH613 4.3 26.2 1.0
NE A:ARG366 4.4 30.3 1.0
CE2 A:TRP362 4.4 27.1 1.0
CB B:ARG366 4.6 26.4 1.0
CZ2 A:TRP362 4.6 29.4 1.0
CG B:ARG366 4.7 26.9 1.0
CD1 A:TRP362 4.7 22.8 1.0
CB B:ASP365 4.7 26.4 1.0
O B:ASP365 4.8 24.3 1.0
CA B:ARG366 4.8 26.2 1.0
CA A:ARG366 4.8 29.9 1.0
NH1 B:ARG366 4.8 31.4 1.0
C B:ASP365 4.8 25.7 1.0
N B:ARG366 4.9 25.8 1.0
CD B:ARG366 4.9 28.2 1.0

Chlorine binding site 2 out of 6 in 4gze

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Chlorine binding site 2 out of 6 in the Crystal Structure of 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form)


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 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:64.2
occ:1.00
 NE2 A:HIS21 3.6 35.1 1.0
CB A:ALA431 3.8 36.8 1.0
SE A:MSE40 3.9 43.1 0.5
O A:HOH716 3.9 39.2 1.0
CA A:ALA431 4.0 36.5 1.0
CD2 A:HIS21 4.1 34.2 1.0
O A:ALA431 4.1 39.0 1.0
NH1 A:ARG49 4.2 39.5 1.0
O A:HOH667 4.5 34.7 1.0
C A:ALA431 4.5 38.4 1.0
CG2 A:THR195 4.7 30.3 1.0
CE1 A:HIS21 4.7 35.0 1.0
CE A:MSE40 4.8 43.8 1.0
CB A:PHE135 4.8 30.1 1.0
CD2 A:PHE135 4.9 29.1 1.0
O A:PHE135 4.9 31.2 1.0

Chlorine binding site 3 out of 6 in 4gze

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Chlorine binding site 3 out of 6 in the Crystal Structure of 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form)


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 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:52.2
occ:1.00
 N A:SER319 3.5 33.3 1.0
CB A:MSE318 3.7 36.9 1.0
CA A:MSE318 3.8 34.8 1.0
O A:SER319 4.0 33.0 1.0
CB A:ASP352 4.1 32.3 1.0
C A:MSE318 4.2 33.9 1.0
N A:ASP352 4.2 33.6 1.0
C A:VAL351 4.2 35.1 1.0
OG A:SER319 4.2 32.0 1.0
CA A:VAL351 4.4 35.0 1.0
O A:GLN350 4.4 36.5 1.0
CA A:SER319 4.6 31.6 1.0
O A:VAL351 4.6 35.4 1.0
C A:GLN350 4.6 37.0 1.0
CG1 A:VAL342 4.6 39.1 1.0
C A:SER319 4.7 32.1 1.0
N A:VAL351 4.7 36.1 1.0
CA A:ASP352 4.8 32.6 1.0
O A:TYR317 4.8 35.2 1.0
CB A:GLN350 4.9 38.6 1.0
CB A:SER319 4.9 31.9 1.0

Chlorine binding site 4 out of 6 in 4gze

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Chlorine binding site 4 out of 6 in the Crystal Structure of 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form)


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 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:51.2
occ:1.00
 CD2 B:LEU258 3.8 28.9 1.0
CB B:ARG262 3.9 27.6 1.0
CG B:LEU258 4.1 30.4 1.0
NH1 B:ARG262 4.1 24.6 1.0
CG B:ARG262 4.1 26.8 1.0
NH2 A:ARG357 4.1 30.0 1.0
CZ B:ARG262 4.3 25.8 1.0
CZ A:ARG357 4.3 28.7 1.0
O B:LEU328 4.4 53.3 1.0
NH1 A:ARG357 4.5 28.3 1.0
O B:HOH619 4.6 26.3 1.0
NE B:ARG262 4.6 27.3 1.0
O B:LEU258 4.6 30.5 1.0
NH2 B:ARG262 4.7 27.2 1.0
O B:HOH679 4.8 37.3 1.0
NE A:ARG357 4.9 29.1 1.0
CD1 B:LEU258 4.9 29.8 1.0
CD B:ARG262 4.9 25.9 1.0

Chlorine binding site 5 out of 6 in 4gze

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Chlorine binding site 5 out of 6 in the Crystal Structure of 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:52.2
occ:1.00
 CB D:MSE318 3.2 36.1 1.0
CA D:MSE318 3.5 34.5 1.0
N D:SER319 3.5 32.3 1.0
CB D:ASP352 3.8 31.7 1.0
N D:ASP352 3.9 32.7 1.0
C D:VAL351 4.0 35.4 1.0
O D:SER319 4.0 31.9 1.0
C D:MSE318 4.1 32.5 1.0
CA D:VAL351 4.2 36.8 1.0
OG D:SER319 4.2 31.1 1.0
O D:GLN350 4.4 40.4 1.0
N D:VAL351 4.4 38.9 1.0
O D:TYR317 4.4 37.3 1.0
C D:GLN350 4.5 39.7 1.0
CA D:ASP352 4.5 31.8 1.0
O D:HOH646 4.6 35.0 1.0
O D:VAL351 4.6 35.0 1.0
CA D:SER319 4.6 30.5 1.0
CG D:MSE318 4.6 37.2 1.0
CB D:GLN350 4.7 43.1 1.0
N D:MSE318 4.7 34.5 1.0
C D:SER319 4.7 31.0 1.0
CB D:SER319 4.9 30.5 1.0

Chlorine binding site 6 out of 6 in 4gze

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Chlorine binding site 6 out of 6 in the Crystal Structure of 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of 6-Phospho-Beta-Glucosidase From Lactobacillus Plantarum (Apo Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl502

b:50.6
occ:1.00
 NE2 D:HIS21 2.8 26.8 1.0
O D:HOH658 2.9 39.0 1.0
CA D:ALA431 3.5 35.3 1.0
CD2 D:HIS21 3.5 28.2 1.0
CB D:ALA431 3.5 34.5 1.0
CE1 D:HIS21 3.9 27.4 1.0
O D:ALA431 4.1 37.1 1.0
NH1 D:ARG49 4.2 37.3 1.0
CG D:GLN22 4.2 31.4 1.0
CD D:GLN22 4.3 33.8 1.0
C D:ALA431 4.3 36.4 1.0
OE1 D:GLN22 4.4 36.6 1.0
N D:ALA431 4.6 34.4 1.0
CG D:HIS21 4.8 30.0 1.0
NE2 D:GLN22 4.8 36.9 1.0
SE D:MSE40 4.8 40.3 0.5
ND2 D:ASN63 4.8 37.2 1.0
ND1 D:HIS21 4.9 30.7 1.0

Reference:

K.Michalska, K.Tan, H.Li, C.Hatzos-Skintges, J.Bearden, G.Babnigg, A.Joachimiak. GH1-Family 6-P-Beta-Glucosidases From Human Microbiome Lactic Acid Bacteria. Acta Crystallogr.,Sect.D V. 69 451 2013.
ISSN: ISSN 0907-4449
PubMed: 23519420
DOI: 10.1107/S0907444912049608
Page generated: Sun Jul 21 15:11:54 2024

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