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Zinc in PDB 4pue: Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylotetraose in Active Site

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

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

Protein crystallography data

The structure of Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylotetraose in Active Site, PDB code: 4pue 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) 36.47 / 2.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 122.403, 61.976, 89.486, 90.00, 119.43, 90.00
R / Rfree (%) 17.2 / 21.4

Other elements in 4pue:

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

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylotetraose in Active Site (pdb code 4pue). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylotetraose in Active Site, PDB code: 4pue:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in 4pue

Go back to Zinc Binding Sites List in 4pue
Zinc binding site 1 out of 5 in the Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylotetraose in Active Site


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylotetraose in Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn405

b:74.1
occ:0.90
 O A:HOH751 2.6 25.6 1.0
OD2 A:ASP21 2.7 34.4 1.0
CL A:CL410 2.8 20.3 1.0
CG A:ASP21 3.7 29.6 1.0
O A:HOH593 3.9 37.1 1.0
OD1 A:ASP21 3.9 32.4 1.0
OE1 A:GLN22 4.0 38.7 1.0
O A:HOH683 4.4 45.3 1.0
CG A:GLN22 4.5 30.2 1.0
O A:HOH652 4.5 45.7 1.0
O A:HOH571 4.6 34.5 1.0
CD A:GLN22 4.7 38.2 1.0
CB A:ASP21 5.0 27.7 1.0

Zinc binding site 2 out of 5 in 4pue

Go back to Zinc Binding Sites List in 4pue
Zinc binding site 2 out of 5 in the Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylotetraose in Active Site


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylotetraose in Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn406

b:41.0
occ:1.00
 O A:HOH749 1.9 27.4 1.0
NE2 A:HIS322 2.2 36.6 1.0
OE1 A:GLU58 2.4 38.2 1.0
OE2 A:GLU58 2.5 44.5 1.0
CE1 A:HIS322 2.6 39.1 1.0
CD A:GLU58 2.7 35.5 1.0
OE2 A:GLU35 3.4 38.7 1.0
CD2 A:HIS322 3.5 36.4 1.0
O2B A:XYP404 3.6 47.8 1.0
ND1 A:HIS322 3.9 48.0 1.0
CG A:GLU35 4.0 32.3 1.0
O A:HOH741 4.1 52.0 1.0
CG A:GLU58 4.2 34.2 1.0
CD A:GLU35 4.2 36.6 1.0
O A:HOH533 4.3 23.6 1.0
CG A:HIS322 4.3 35.9 1.0
ND2 A:ASN59 4.5 27.4 1.0
CB A:GLU58 4.8 28.3 1.0
N A:TRP324 4.9 28.5 1.0
C2B A:XYP404 4.9 57.1 1.0
O3B A:XYP404 4.9 45.8 1.0

Zinc binding site 3 out of 5 in 4pue

Go back to Zinc Binding Sites List in 4pue
Zinc binding site 3 out of 5 in the Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylotetraose in Active Site


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylotetraose in Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn407

b:74.9
occ:1.00
 OD1 A:ASP282 2.5 39.7 1.0
CG A:ASP282 3.4 39.6 1.0
OD2 A:ASP282 3.7 50.3 1.0
CB A:TYR281 4.4 26.2 1.0
CD2 A:TYR281 4.5 25.3 1.0
N A:ASP282 4.8 30.4 1.0
CB A:ASP282 4.8 36.2 1.0
CG A:TYR281 4.8 25.4 1.0
CG A:PRO364 4.9 28.9 1.0

Zinc binding site 4 out of 5 in 4pue

Go back to Zinc Binding Sites List in 4pue
Zinc binding site 4 out of 5 in the Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylotetraose in Active Site


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylotetraose in Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn408

b:75.3
occ:1.00
 O A:SER307 2.4 35.7 1.0
O A:ILE310 2.4 28.6 1.0
O A:GLU27 2.5 28.2 1.0
O A:HOH638 2.5 33.2 1.0
O A:HOH550 2.7 32.5 1.0
O A:HOH724 2.9 39.4 1.0
C A:ILE310 3.4 24.6 1.0
C A:SER307 3.5 33.9 1.0
C A:GLU27 3.6 31.0 1.0
CA A:SER311 4.0 26.4 1.0
N A:SER311 4.1 28.1 1.0
N A:ILE310 4.2 25.8 1.0
CA A:SER307 4.2 30.2 1.0
O A:HOH649 4.2 42.9 1.0
CB A:PHE28 4.3 24.6 1.0
CA A:ILE310 4.4 25.1 1.0
CB A:SER307 4.4 31.2 1.0
CA A:PHE28 4.4 25.8 1.0
N A:PHE28 4.5 29.8 1.0
CA A:ASP308 4.5 38.6 1.0
N A:ASP308 4.5 34.7 1.0
CA A:GLU27 4.5 28.1 1.0
CD2 A:PHE28 4.7 27.2 1.0
C A:ASP308 4.7 34.0 1.0
O A:HOH636 4.8 34.9 1.0
O A:HOH714 4.8 47.2 1.0
C A:SER311 4.8 25.2 1.0
CB A:ILE310 4.9 25.3 1.0
N A:LYS309 4.9 30.3 1.0
O A:ASN26 5.0 31.4 1.0
CG A:PHE28 5.0 25.0 1.0

Zinc binding site 5 out of 5 in 4pue

Go back to Zinc Binding Sites List in 4pue
Zinc binding site 5 out of 5 in the Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylotetraose in Active Site


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Extracellulr Xylanase From Geobacillus Stearothermophilus: E159Q Mutant, with Xylotetraose in Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn409

b:52.2
occ:1.00
 OD1 A:ASP297 2.4 36.2 1.0
O A:ALA374 2.4 29.9 1.0
OD1 A:ASP377 2.5 37.6 1.0
O A:HOH622 2.5 30.5 1.0
O A:HOH743 2.6 31.2 1.0
OXT A:LYS379 2.6 49.5 1.0
O A:HOH641 2.7 34.0 1.0
C A:ALA374 3.6 32.1 1.0
CG A:ASP297 3.6 32.0 1.0
CG A:ASP377 3.6 37.0 1.0
C A:LYS379 3.6 58.5 1.0
OD2 A:ASP377 3.9 37.8 1.0
O A:HOH598 4.2 31.7 1.0
O A:LYS379 4.3 72.1 1.0
N A:LYS379 4.3 58.4 1.0
CA A:ALA374 4.4 31.7 1.0
CB A:ASP297 4.4 31.0 1.0
O A:HOH693 4.4 39.2 1.0
OD2 A:ASP297 4.4 37.9 1.0
O A:ASP377 4.5 33.4 1.0
CA A:ASP297 4.5 30.3 1.0
N A:ILE375 4.5 29.1 1.0
CA A:ILE375 4.5 26.8 1.0
CA A:LYS379 4.6 59.2 1.0
CE A:LYS301 4.6 56.4 1.0
NZ A:LYS301 4.6 57.8 1.0
O A:ASP297 4.6 27.9 1.0
C A:ASP377 4.7 36.2 1.0
CB A:ASP377 4.9 32.6 1.0
CB A:ALA374 4.9 32.6 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 Xylotetraose in Active Site. To Be Published.
Page generated: Sun Oct 27 06:04:28 2024

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