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Chlorine in PDB 3mmd: Crystal Structure of the W241A Mutant of Xylanase From Geobacillus Stearothermophilus T-6 (XT6) Complexed with Hydrolyzed Xylopentaose

Enzymatic activity of Crystal Structure of the W241A Mutant of Xylanase From Geobacillus Stearothermophilus T-6 (XT6) Complexed with Hydrolyzed Xylopentaose

All present enzymatic activity of Crystal Structure of the W241A Mutant of Xylanase From Geobacillus Stearothermophilus T-6 (XT6) Complexed with Hydrolyzed Xylopentaose:
3.2.1.8;

Protein crystallography data

The structure of Crystal Structure of the W241A Mutant of Xylanase From Geobacillus Stearothermophilus T-6 (XT6) Complexed with Hydrolyzed Xylopentaose, PDB code: 3mmd was solved by V.Solomon, G.Zolotnitsky, H.Feinberg, O.Tabachnikov, Y.Shoham, G.Shoham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.84 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 123.241, 61.856, 89.066, 90.00, 119.20, 90.00
R / Rfree (%) 21.4 / 23.6

Other elements in 3mmd:

The structure of Crystal Structure of the W241A Mutant of Xylanase From Geobacillus Stearothermophilus T-6 (XT6) Complexed with Hydrolyzed Xylopentaose also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the W241A Mutant of Xylanase From Geobacillus Stearothermophilus T-6 (XT6) Complexed with Hydrolyzed Xylopentaose (pdb code 3mmd). 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 W241A Mutant of Xylanase From Geobacillus Stearothermophilus T-6 (XT6) Complexed with Hydrolyzed Xylopentaose, PDB code: 3mmd:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3mmd

Go back to Chlorine Binding Sites List in 3mmd
Chlorine binding site 1 out of 2 in the Crystal Structure of the W241A Mutant of Xylanase From Geobacillus Stearothermophilus T-6 (XT6) Complexed with Hydrolyzed Xylopentaose


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 W241A Mutant of Xylanase From Geobacillus Stearothermophilus T-6 (XT6) Complexed with Hydrolyzed Xylopentaose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl420

b:45.2
occ:1.00
NA A:NA411 2.1 17.3 1.0
O A:HOH680 2.8 26.6 1.0
OE2 A:GLU58 2.8 18.1 1.0
O3B A:XYP451 3.1 23.7 1.0
O A:HOH579 3.2 27.1 1.0
NE2 A:HIS322 3.4 23.9 1.0
CA A:TRP324 3.5 16.3 1.0
N A:TRP324 3.6 14.9 1.0
CE1 A:HIS322 3.6 24.9 1.0
CB A:TRP324 3.6 15.4 1.0
CD A:GLU58 3.7 19.0 1.0
OE1 A:GLU58 3.9 19.0 1.0
O A:HOH521 4.0 18.9 1.0
O A:HOH716 4.1 32.8 1.0
C3B A:XYP451 4.1 27.9 1.0
C A:THR323 4.1 15.2 1.0
O4B A:XYP451 4.1 27.7 1.0
CD2 A:HIS322 4.4 22.8 1.0
O A:THR323 4.5 13.0 1.0
ND1 A:HIS322 4.6 23.9 1.0
C4B A:XYP451 4.7 28.1 1.0
CA A:THR323 4.9 14.2 1.0
CG A:GLU58 5.0 16.1 1.0
C A:TRP324 5.0 15.6 1.0

Chlorine binding site 2 out of 2 in 3mmd

Go back to Chlorine Binding Sites List in 3mmd
Chlorine binding site 2 out of 2 in the Crystal Structure of the W241A Mutant of Xylanase From Geobacillus Stearothermophilus T-6 (XT6) Complexed with Hydrolyzed Xylopentaose


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 W241A Mutant of Xylanase From Geobacillus Stearothermophilus T-6 (XT6) Complexed with Hydrolyzed Xylopentaose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl421

b:37.2
occ:1.00
ZN A:ZN401 2.0 18.5 1.0
O A:HOH806 2.4 29.2 1.0
O A:HOH763 2.9 25.2 1.0
NE2 A:HIS11 3.2 17.4 1.0
OD2 A:ASP365 3.2 18.5 1.0
OD1 A:ASP365 3.5 18.2 1.0
CE1 A:HIS11 3.6 19.8 1.0
CG A:ASP365 3.6 19.7 1.0
CD2 A:HIS11 4.3 20.2 1.0
O A:HOH581 4.3 40.9 1.0
O A:HOH790 4.6 44.1 1.0
CE2 A:TYR281 4.7 22.9 1.0
CD A:PRO364 4.7 16.4 1.0
O A:HOH685 4.8 31.0 1.0
CG A:PRO364 4.8 16.2 1.0
ND1 A:HIS11 4.8 20.7 1.0
CB A:ASP365 4.8 18.3 1.0
O A:HOH713 5.0 27.9 1.0

Reference:

V.Solomon, G.Zolotnitsky, H.Feinberg, O.Tabachnikov, Y.Shoham, G.Shoham. Structural-Based Rational Mutagenesis of Xylanases From G.Stearothermophilus To Be Published.
Page generated: Fri Jul 11 07:54:46 2025

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