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Zinc in PDB 1r86: Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution

Enzymatic activity of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution

All present enzymatic activity of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A 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 E159A/E265A Mutant at 1.8A Resolution, PDB code: 1r86 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) 40.00 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 121.244, 61.251, 89.463, 90.00, 119.28, 90.00
R / Rfree (%) 18.1 / 21.5

Other elements in 1r86:

The structure of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution (pdb code 1r86). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 7 binding sites of Zinc where determined in the Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution, PDB code: 1r86:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7;

Zinc binding site 1 out of 7 in 1r86

Go back to Zinc Binding Sites List in 1r86
Zinc binding site 1 out of 7 in the Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn901

b:20.1
occ:1.00
 OD2 A:ASP365 1.8 19.1 1.0
NE2 A:HIS11 2.1 15.3 1.0
CL A:CL701 2.2 20.4 1.0
CG A:ASP365 2.8 21.0 1.0
CD2 A:HIS11 3.0 17.5 1.0
OD1 A:ASP365 3.1 16.8 1.0
CE1 A:HIS11 3.1 15.7 1.0
O A:HOH1045 3.9 22.9 1.0
CD A:LYS367 4.0 15.8 1.0
CB A:ASP365 4.2 18.1 1.0
CG A:HIS11 4.2 16.9 1.0
ND1 A:HIS11 4.2 17.2 1.0
O A:HOH1274 4.5 35.9 1.0
CB A:LYS367 4.5 14.1 1.0
O A:HOH1042 4.6 21.2 1.0
NZ A:LYS367 4.8 19.5 1.0
CG A:LYS367 4.8 15.8 1.0

Zinc binding site 2 out of 7 in 1r86

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Zinc binding site 2 out of 7 in the Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn902

b:19.2
occ:1.00
 O A:HOH1163 1.9 18.4 1.0
OD2 A:ASP21 1.9 16.6 1.0
O A:HOH1162 2.1 17.7 1.0
O A:HOH1164 2.1 16.4 1.0
O A:HOH1001 2.2 14.1 1.0
O A:HOH1165 2.2 17.1 1.0
CG A:ASP21 3.0 16.4 1.0
OD1 A:ASP21 3.2 15.9 1.0
O A:HOH1211 4.0 35.0 1.0
O A:HOH1037 4.0 21.7 1.0
O A:PHE52 4.2 16.9 1.0
O A:HOH1176 4.2 29.0 1.0
O A:HOH1184 4.2 43.2 1.0
O A:LYS49 4.3 19.7 1.0
O A:HOH1182 4.3 35.1 1.0
CB A:ASP21 4.4 17.2 1.0
OE1 A:GLN22 4.4 25.9 1.0
O A:ARG50 4.4 17.7 1.0
O A:HOH1266 4.4 46.2 1.0
CG A:GLN22 4.6 21.5 1.0
CB A:ASN53 4.6 15.1 1.0
C A:PHE52 4.8 14.5 1.0

Zinc binding site 3 out of 7 in 1r86

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Zinc binding site 3 out of 7 in the Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn903

b:20.4
occ:0.50
 O A:HOH1232 1.7 40.3 1.0
OD2 A:ASP282 1.8 30.5 1.0
O A:HOH1298 2.4 29.8 1.0
O A:HOH1299 2.4 32.0 0.8
CG A:ASP282 2.8 29.0 1.0
OD1 A:ASP282 3.1 29.2 1.0
O A:HOH1265 4.0 35.7 1.0
CB A:ASP282 4.2 23.4 1.0
ZN A:ZN904 4.2 64.2 0.3
O A:HOH1089 4.4 27.6 1.0
CB A:THR280 4.4 19.4 1.0
O A:HOH1303 4.5 36.7 1.0
CG2 A:THR280 4.7 24.1 1.0
N A:ASP282 4.7 20.4 1.0
O1 A:SO4802 4.7 34.9 0.7
O A:HOH1347 4.8 31.7 1.0
O A:HOH1307 4.9 31.6 1.0

Zinc binding site 4 out of 7 in 1r86

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Zinc binding site 4 out of 7 in the Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn904

b:64.2
occ:0.35
 O A:HOH1274 2.0 35.9 1.0
O A:HOH1303 2.3 36.7 1.0
O A:HOH1347 2.6 31.7 1.0
OD1 A:ASP282 3.0 29.2 1.0
O A:HOH1299 3.5 32.0 0.8
CG A:ASP282 4.1 29.0 1.0
ZN A:ZN903 4.2 20.4 0.5
OD2 A:ASP282 4.5 30.5 1.0
O A:HOH1279 4.5 37.5 1.0
CD2 A:TYR281 4.5 19.7 1.0
CB A:TYR281 4.5 18.8 1.0
CG A:PRO364 4.6 17.4 1.0
CG A:TYR281 4.8 19.1 1.0
N A:ASP282 4.9 20.4 1.0

Zinc binding site 5 out of 7 in 1r86

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Zinc binding site 5 out of 7 in the Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn905

b:24.6
occ:1.00
 OE1 A:GLU58 2.0 20.7 1.0
NE2 A:HIS322 2.1 30.3 1.0
O A:HOH1099 2.1 16.9 1.0
CL A:CL702 2.1 25.0 1.0
CD A:GLU58 2.7 20.9 1.0
OE2 A:GLU58 2.8 22.6 1.0
CE1 A:HIS322 2.8 33.2 1.0
CD2 A:HIS322 3.2 27.7 1.0
O A:HOH1071 3.9 26.4 1.0
OE2 A:GLU35 3.9 23.8 1.0
ND1 A:HIS322 4.0 32.0 1.0
CG A:GLU35 4.1 17.8 1.0
CG A:GLU58 4.2 19.4 1.0
CG A:HIS322 4.2 26.4 1.0
O A:HOH1007 4.4 15.4 1.0
O A:HOH1174 4.5 34.2 1.0
CD A:GLU35 4.5 21.8 1.0
CB A:GLU58 4.6 17.4 1.0
ND2 A:ASN59 4.6 20.9 1.0
O A:HOH1032 4.8 22.4 1.0

Zinc binding site 6 out of 7 in 1r86

Go back to Zinc Binding Sites List in 1r86
Zinc binding site 6 out of 7 in the Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn906

b:32.3
occ:0.50
 O A:GLU27 2.2 20.1 1.0
O A:SER307 2.2 19.8 1.0
O A:ILE310 2.4 17.4 1.0
O A:HOH1233 2.5 24.6 1.0
O A:HOH1231 2.6 29.1 1.0
O A:HOH1066 2.7 27.7 1.0
C A:GLU27 3.4 19.9 1.0
C A:SER307 3.4 20.4 1.0
C A:ILE310 3.5 18.2 1.0
O A:HOH1336 4.0 34.3 1.0
CA A:SER311 4.0 16.1 1.0
CA A:SER307 4.1 19.0 1.0
CB A:PHE28 4.2 17.3 1.0
CB A:SER307 4.2 16.9 1.0
N A:SER311 4.2 16.4 1.0
CA A:PHE28 4.2 16.2 1.0
N A:PHE28 4.2 18.6 1.0
N A:ILE310 4.4 19.8 1.0
CA A:GLU27 4.4 17.1 1.0
N A:ASP308 4.4 22.5 1.0
CA A:ASP308 4.4 26.0 1.0
CA A:ILE310 4.5 17.7 1.0
CD2 A:PHE28 4.6 17.1 1.0
O A:HOH1335 4.7 48.7 1.0
C A:ASP308 4.7 26.0 1.0
C A:SER311 4.8 16.9 1.0
OG A:SER307 4.9 22.2 1.0
O A:HOH1288 4.9 34.1 1.0
CG A:PHE28 4.9 17.3 1.0
O A:ASN26 4.9 17.7 1.0
N A:LYS309 5.0 23.1 1.0

Zinc binding site 7 out of 7 in 1r86

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Zinc binding site 7 out of 7 in the Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn907

b:24.5
occ:0.70
 O A:ALA374 2.3 18.2 1.0
OD1 A:ASP297 2.3 21.6 1.0
O A:LYS379 2.3 29.4 1.0
O A:HOH1331 2.3 26.2 1.0
OD1 A:ASP377 2.4 26.7 1.0
O A:HOH1297 2.4 24.0 1.0
O A:HOH1018 2.4 19.8 1.0
CG A:ASP377 3.5 26.3 1.0
CG A:ASP297 3.5 23.3 1.0
C A:LYS379 3.5 32.3 1.0
C A:ALA374 3.5 18.9 1.0
OD2 A:ASP377 3.8 26.5 1.0
NZ A:LYS301 4.2 37.5 1.0
OXT A:LYS379 4.2 33.6 1.0
CB A:ASP297 4.2 21.0 1.0
N A:LYS379 4.2 29.4 1.0
O A:HOH1160 4.3 38.6 1.0
CA A:ASP297 4.3 19.8 1.0
CA A:ALA374 4.4 18.1 1.0
OD2 A:ASP297 4.4 24.4 1.0
CE A:LYS301 4.4 36.8 1.0
N A:ILE375 4.4 17.0 1.0
CA A:ILE375 4.4 17.8 1.0
O A:HOH1011 4.5 16.4 1.0
CA A:LYS379 4.5 31.0 1.0
O A:ASP297 4.5 20.4 1.0
O A:ASP377 4.6 21.5 1.0
O A:HOH1304 4.6 34.3 1.0
C A:ASP377 4.8 23.1 1.0
CB A:ASP377 4.8 23.2 1.0
C A:ASP297 4.8 20.0 1.0
CB A:ALA374 4.9 16.7 1.0

Reference:

M.Bar, G.Golan, G.Zolotnitsky, Y.Shoham, G.Shoham. Crystal Structure of the Extracellular Xylanase From Geobacillus Stearothermophilus T-6 (XT6, Monoclinic Form): the E159A/E265A Mutant at 1.8A Resolution To Be Published.
Page generated: Wed Oct 16 18:27:50 2024

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