Chlorine in PDB 4prw: Xylanase T6 (XT6) From Geobacillus Stearothermophilus in Complex with Xylohexaose

All present enzymatic activity of Xylanase T6 (XT6) From Geobacillus Stearothermophilus in Complex with Xylohexaose:
3.2.1.8;

The structure of Xylanase T6 (XT6) From Geobacillus Stearothermophilus in Complex with Xylohexaose, PDB code: 4prw 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)	43.07 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.800, 61.670, 89.350, 90.00, 119.38, 90.00
R / Rfree (%)	15.1 / 19.4

The structure of Xylanase T6 (XT6) From Geobacillus Stearothermophilus in Complex with Xylohexaose also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Chlorine atom in the Xylanase T6 (XT6) From Geobacillus Stearothermophilus in Complex with Xylohexaose (pdb code 4prw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Xylanase T6 (XT6) From Geobacillus Stearothermophilus in Complex with Xylohexaose, PDB code: 4prw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Xylanase T6 (XT6) From Geobacillus Stearothermophilus in Complex with Xylohexaose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Xylanase T6 (XT6) From Geobacillus Stearothermophilus in Complex with Xylohexaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl412 b:22.3 occ:1.00 ZN A:ZN409 2.2 17.7 1.0 O A:HOH518 3.3 19.9 1.0 O A:HOH962 3.3 41.6 1.0 OD2 A:ASP365 3.4 18.6 1.0 NE2 A:HIS11 3.4 15.3 1.0 OD1 A:ASP365 3.6 14.6 1.0 CG A:ASP365 3.7 17.0 1.0 CE1 A:HIS11 3.9 15.4 1.0 CE2 A:TYR281 4.1 17.5 1.0 CD A:PRO364 4.1 16.7 1.0 O A:HOH976 4.3 30.0 1.0 CG A:PRO364 4.6 17.1 1.0 CD2 A:HIS11 4.6 15.3 1.0 CD2 A:TYR281 4.7 17.8 1.0 CB A:ASP365 4.9 17.8 1.0 CZ A:TYR281 5.0 18.0 1.0

Chlorine binding site 2 out of 2 in the Xylanase T6 (XT6) From Geobacillus Stearothermophilus in Complex with Xylohexaose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Xylanase T6 (XT6) From Geobacillus Stearothermophilus in Complex with Xylohexaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl414 b:34.8 occ:1.00 ZN A:ZN413 1.9 16.7 0.7 OE1 A:GLU58 2.7 29.7 1.0 O A:HOH961 2.9 24.1 1.0 O2B A:XYP402 3.0 29.9 1.0 NE2 A:HIS322 3.2 24.4 1.0 O A:HOH616 3.4 33.2 1.0 CD A:GLU58 3.5 29.2 1.0 CE1 A:HIS322 3.6 31.4 1.0 CA A:TRP324 3.6 16.0 1.0 N A:TRP324 3.7 14.6 1.0 O A:HOH876 3.7 52.3 1.0 OE2 A:GLU58 3.7 26.2 1.0 CB A:TRP324 3.8 18.8 1.0 O A:HOH536 3.9 15.3 1.0 C2B A:XYP402 4.0 34.5 1.0 CD2 A:HIS322 4.1 23.1 1.0 C A:THR323 4.2 15.6 1.0 O A:HOH731 4.2 36.2 1.0 O3B A:XYP402 4.3 33.2 1.0 O A:HOH773 4.6 47.3 1.0 O A:THR323 4.6 14.7 1.0 ND1 A:HIS322 4.6 32.0 1.0 C3B A:XYP402 4.7 34.5 1.0 O A:HOH805 4.8 58.9 1.0 CG A:GLU58 4.9 24.1 1.0 CG A:HIS322 5.0 21.4 1.0 CA A:THR323 5.0 14.4 1.0

R.D.Dann, H.V.Solomon, S.Lansky, A.Ben-David, N.Lavid, R.Salama, Y.Shoham, G.Shoham. Xylanase T6 (XT6) From Geobacillus Stearothermophilus in Complex with Xylohexaose To Be Published.