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Chlorine in PDB 4pud: Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylopentaose in Active Site

Enzymatic activity of Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylopentaose in Active Site

All present enzymatic activity of Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylopentaose in Active Site:
3.2.1.8;

Protein crystallography data

The structure of Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylopentaose in Active Site, PDB code: 4pud was solved by R.D.Dann, H.V.Solomon, S.Lansky, A.Ben-David, N.Lavid, R.Salama, Y.Shoham, G.Shoham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.01
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 121.394, 61.664, 89.321, 90.00, 119.37, 90.00
R / Rfree (%) 14.6 / 18.3

Other elements in 4pud:

The structure of Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylopentaose in Active Site also contains other interesting chemical elements:

Zinc (Zn) 9 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylopentaose in Active Site (pdb code 4pud). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylopentaose in Active Site, PDB code: 4pud:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4pud

Go back to Chlorine Binding Sites List in 4pud
Chlorine binding site 1 out of 3 in the Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylopentaose in Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylopentaose in Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:45.9
occ:1.00
ZN A:ZN410 1.9 28.4 0.8
OE2 A:GLU58 2.7 42.3 1.0
O A:HOH843 2.9 29.9 1.0
O3B A:XYP401 3.0 33.9 1.0
NE2 A:HIS322 3.1 35.7 1.0
O A:HOH652 3.4 39.9 1.0
CD A:GLU58 3.5 32.6 1.0
N A:TRP324 3.6 22.6 1.0
CA A:TRP324 3.6 23.9 1.0
CE1 A:HIS322 3.6 40.7 1.0
CB A:TRP324 3.7 25.3 1.0
OE1 A:GLU58 3.7 34.2 1.0
C3B A:XYP401 4.0 43.1 1.0
O A:HOH524 4.1 22.7 1.0
CD2 A:HIS322 4.1 32.4 1.0
C A:THR323 4.2 23.9 1.0
O2B A:XYP401 4.4 44.4 1.0
O A:THR323 4.6 22.2 1.0
ND1 A:HIS322 4.7 41.6 1.0
C2B A:XYP401 4.7 43.7 1.0
CG A:GLU58 4.9 30.4 1.0
CG A:HIS322 4.9 31.1 1.0

Chlorine binding site 2 out of 3 in 4pud

Go back to Chlorine Binding Sites List in 4pud
Chlorine binding site 2 out of 3 in the Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylopentaose in Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylopentaose in Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl409

b:52.4
occ:0.70
O A:HOH845 2.2 45.9 1.0
ZN A:ZN416 2.2 76.8 0.6
OD1 A:ASP282 2.7 34.4 1.0
CG A:ASP282 3.8 37.3 1.0
ZN A:ZN413 3.9 38.6 0.7
OD2 A:ASP282 4.3 53.9 1.0
CB A:TYR281 4.5 24.8 1.0
CD2 A:TYR281 4.6 25.4 1.0
N A:ASP282 4.7 23.4 1.0
O A:HOH851 4.8 49.2 1.0
CB A:ASP282 4.9 29.3 1.0
CG A:TYR281 4.9 22.7 1.0
O A:HOH711 4.9 46.6 1.0
CA A:ASP282 5.0 26.2 1.0

Chlorine binding site 3 out of 3 in 4pud

Go back to Chlorine Binding Sites List in 4pud
Chlorine binding site 3 out of 3 in the Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylopentaose in Active Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylopentaose in Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl414

b:43.9
occ:0.90
ZN A:ZN411 2.4 23.1 0.6
O A:HOH532 2.6 25.0 1.0
O A:HOH583 2.8 25.8 1.0
O A:ASP297 2.8 23.4 1.0
OD1 A:ASP297 2.9 26.9 1.0
O A:ALA374 3.4 25.2 1.0
C A:ASP297 3.6 22.0 1.0
CA A:ASP297 3.6 22.1 1.0
O A:LYS379 3.7 34.4 1.0
N A:LYS301 3.7 21.7 1.0
CG A:ASP297 3.8 28.3 1.0
CE A:LYS301 4.1 49.2 1.0
CB A:LYS301 4.1 27.3 1.0
CA A:LYS301 4.2 26.7 1.0
CB A:PHE300 4.2 22.1 1.0
NZ A:LYS301 4.2 49.1 1.0
C A:PHE300 4.3 24.1 1.0
CB A:ASP297 4.3 24.4 1.0
OD1 A:ASP377 4.4 27.5 1.0
C A:ALA374 4.5 27.0 1.0
CA A:ILE375 4.6 21.8 1.0
O A:TYR296 4.6 21.6 1.0
O A:HOH531 4.7 27.0 1.0
CA A:PHE300 4.7 21.1 1.0
OD2 A:ASP297 4.8 36.2 1.0
CG2 A:ILE375 4.8 21.9 1.0
OH A:TYR24 4.8 21.9 1.0
C A:LYS379 4.8 46.0 1.0
CG A:LYS301 4.8 43.7 1.0
N A:ASP297 4.8 19.7 1.0
N A:ARG298 4.9 22.4 1.0
N A:PHE300 4.9 20.3 1.0
CD A:LYS301 5.0 48.2 1.0

Reference:

R.D.Dann, H.V.Solomon, S.Lansky, A.Ben-David, N.Lavid, R.Salama, Y.Shoham, G.Shoham. Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylopentaose in Active Site. To Be Published.
Page generated: Sat Dec 12 11:03:53 2020

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