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Chlorine in PDB 1r87: Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the Complex of the Wt Enzyme with Xylopentaose at 1.67A Resolution

Enzymatic activity of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the Complex of the Wt Enzyme with Xylopentaose at 1.67A Resolution

All present enzymatic activity of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the Complex of the Wt Enzyme with Xylopentaose at 1.67A Resolution:
3.2.1.8;

Protein crystallography data

The structure of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the Complex of the Wt Enzyme with Xylopentaose at 1.67A Resolution, PDB code: 1r87 was solved by M.Bar, G.Golan, 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) 25.00 / 1.67
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 120.422, 61.221, 89.583, 90.00, 119.50, 90.00
R / Rfree (%) 16.9 / 18.6

Other elements in 1r87:

The structure of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the Complex of the Wt Enzyme with Xylopentaose at 1.67A 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, Monoclinic Form): the Complex of the Wt Enzyme with Xylopentaose at 1.67A Resolution (pdb code 1r87). 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, Monoclinic Form): the Complex of the Wt Enzyme with Xylopentaose at 1.67A Resolution, PDB code: 1r87:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1r87

Go back to Chlorine Binding Sites List in 1r87
Chlorine binding site 1 out of 2 in the Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the Complex of the Wt Enzyme with Xylopentaose at 1.67A 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, Monoclinic Form): the Complex of the Wt Enzyme with Xylopentaose at 1.67A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl701

b:20.9
occ:1.00
 ZN A:ZN901 2.2 18.9 1.0
O A:HOH1064 3.2 24.8 1.0
OD2 A:ASP365 3.3 19.8 1.0
NE2 A:HIS11 3.5 16.9 1.0
OD1 A:ASP365 3.7 17.1 1.0
CG A:ASP365 3.8 19.7 1.0
CE1 A:HIS11 3.8 17.6 1.0
CE2 A:TYR281 4.0 20.1 1.0
CD A:PRO364 4.2 18.3 1.0
CD2 A:TYR281 4.5 18.7 1.0
CG A:PRO364 4.5 19.7 1.0
CD2 A:HIS11 4.6 17.6 1.0
O A:HOH1180 4.7 38.9 1.0
CZ A:TYR281 4.9 18.9 1.0
O A:HOH1161 5.0 31.2 1.0

Chlorine binding site 2 out of 2 in 1r87

Go back to Chlorine Binding Sites List in 1r87
Chlorine binding site 2 out of 2 in the Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the Complex of the Wt Enzyme with Xylopentaose at 1.67A 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, Monoclinic Form): the Complex of the Wt Enzyme with Xylopentaose at 1.67A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl702

b:32.2
occ:1.00
 ZN A:ZN905 2.0 22.6 0.9
OE2 A:GLU58 3.0 25.9 1.0
O A:HOH1024 3.1 23.0 1.0
O3B A:XYP451 3.2 22.2 1.0
O A:HOH1162 3.2 33.7 1.0
NE2 A:HIS322 3.3 25.9 0.8
CE1 A:HIS322 3.5 25.7 0.2
CA A:TRP324 3.6 17.5 1.0
CB A:TRP324 3.6 17.3 1.0
N A:TRP324 3.7 17.2 1.0
CD A:GLU58 3.8 23.3 1.0
CD2 A:HIS322 3.9 26.0 0.8
NE2 A:HIS322 3.9 26.8 0.2
C3B A:XYP451 4.0 23.2 1.0
OE1 A:GLU58 4.1 24.9 1.0
O A:HOH1020 4.2 18.1 1.0
O2B A:XYP451 4.2 23.3 1.0
O A:HOH1296 4.2 44.9 1.0
C A:THR323 4.2 17.3 1.0
CE1 A:HIS322 4.3 29.0 0.8
ND1 A:HIS322 4.3 26.8 0.2
O A:THR323 4.5 17.2 1.0
C2B A:XYP451 4.8 23.9 1.0
CD2 A:HIS322 4.9 27.3 0.2
O A:HOH1225 5.0 37.5 1.0
C A:TRP324 5.0 18.7 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 Jul 20 01:51:36 2024

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