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Chlorine in PDB 1r85: Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6): the Wt Enzyme (Monoclinic Form) at 1.45A Resolution

Enzymatic activity of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6): the Wt Enzyme (Monoclinic Form) at 1.45A Resolution

All present enzymatic activity of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6): the Wt Enzyme (Monoclinic Form) at 1.45A Resolution:
3.2.1.8;

Protein crystallography data

The structure of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6): the Wt Enzyme (Monoclinic Form) at 1.45A Resolution, PDB code: 1r85 was solved by M.Bar, G.Golan, M.Nechama, G.Zolotnitsky, Y.Shoham, G.Shoham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.45
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 121.510, 61.710, 89.090, 90.00, 119.07, 90.00
R / Rfree (%) 12.6 / 18.1

Other elements in 1r85:

The structure of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6): the Wt Enzyme (Monoclinic Form) at 1.45A Resolution also contains other interesting chemical elements:

Zinc (Zn) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6): the Wt Enzyme (Monoclinic Form) at 1.45A Resolution (pdb code 1r85). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6): the Wt Enzyme (Monoclinic Form) at 1.45A Resolution, PDB code: 1r85:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1r85

Go back to Chlorine Binding Sites List in 1r85
Chlorine binding site 1 out of 2 in the Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6): the Wt Enzyme (Monoclinic Form) at 1.45A Resolution


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 the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6): the Wt Enzyme (Monoclinic Form) at 1.45A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl701

b:21.1
occ:1.00
 ZN A:ZN901 2.3 15.7 1.0
C1 A:GOL518 3.1 36.0 0.5
O A:HOH1081 3.2 24.2 1.0
OD2 A:ASP365 3.4 16.3 1.0
NE2 A:HIS11 3.5 16.0 1.0
OD1 A:ASP365 3.7 15.8 1.0
O1 A:GOL518 3.7 35.9 0.5
CG A:ASP365 3.8 16.1 1.0
C2 A:GOL518 3.8 36.2 0.5
CE1 A:HIS11 3.9 14.0 1.0
O2 A:GOL518 3.9 44.0 0.5
CE2 A:TYR281 4.0 20.6 1.0
CD A:PRO364 4.1 15.2 1.0
CG A:PRO364 4.5 16.4 1.0
O A:HOH1187 4.5 37.0 1.0
CD2 A:TYR281 4.5 19.7 1.0
O A:HOH1506 4.6 39.4 0.4
CD2 A:HIS11 4.6 16.8 1.0
CZ A:TYR281 4.9 17.4 1.0
CB A:ASP365 5.0 14.5 1.0

Chlorine binding site 2 out of 2 in 1r85

Go back to Chlorine Binding Sites List in 1r85
Chlorine binding site 2 out of 2 in the Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6): the Wt Enzyme (Monoclinic Form) at 1.45A Resolution


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 the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6): the Wt Enzyme (Monoclinic Form) at 1.45A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl702

b:24.5
occ:1.00
 ZN A:ZN904 2.1 19.3 1.0
OE2 A:GLU58 2.5 18.2 0.4
O2 A:GOL513 3.0 38.6 0.7
O A:HOH1072 3.3 25.7 1.0
O A:HOH1020 3.3 17.1 1.0
NE2 A:HIS322 3.4 22.9 1.0
CA A:TRP324 3.4 14.8 1.0
N A:TRP324 3.5 13.7 1.0
OE1 A:GLU58 3.5 18.7 0.6
CB A:TRP324 3.6 14.6 1.0
CD A:GLU58 3.6 18.7 0.4
C2 A:GOL513 3.8 34.2 0.7
O A:HOH1007 3.9 13.9 1.0
O1 A:GOL513 4.0 47.2 0.7
CD A:GLU58 4.0 19.1 0.6
OE1 A:GLU58 4.0 19.5 0.4
OE2 A:GLU58 4.0 18.9 0.6
C A:THR323 4.0 11.9 1.0
CE1 A:HIS322 4.1 26.9 1.0
CD2 A:HIS322 4.1 19.4 1.0
O A:HOH1373 4.1 48.3 1.0
O A:HOH1261 4.3 33.6 1.0
C1 A:GOL513 4.4 36.5 0.7
O A:THR323 4.4 14.3 1.0
O A:HOH1487 4.4 54.6 1.0
CG A:GLU58 4.8 17.7 0.4
CA A:THR323 4.9 12.5 1.0
O A:HOH1440 4.9 62.3 1.0
C A:TRP324 4.9 14.9 1.0
ND1 A:HIS322 5.0 28.4 1.0

Reference:

G.Zolotnitsky, U.Cogan, N.Adir, V.Solomon, G.Shoham, Y.Shoham. Mapping Glycoside Hydrolase Substrate Subsites By Isothermal Titration Calorimetry. Proc.Natl.Acad.Sci.Usa V. 101 11275 2004.
ISSN: ISSN 0027-8424
PubMed: 15277671
DOI: 10.1073/PNAS.0404311101
Page generated: Sat Dec 12 08:47:55 2020

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