Chlorine in PDB 5bn1: Structure of AXE2-W215I, An Acetyl Xylan Esterase From Geobacillus Stearothermophilus

The structure of Structure of AXE2-W215I, An Acetyl Xylan Esterase From Geobacillus Stearothermophilus, PDB code: 5bn1 was solved by S.Lansky, O.Alalouf, Y.Shoham, G.Shoham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.60
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	108.880, 108.880, 216.120, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 16.6

The binding sites of Chlorine atom in the Structure of AXE2-W215I, An Acetyl Xylan Esterase From Geobacillus Stearothermophilus (pdb code 5bn1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of AXE2-W215I, An Acetyl Xylan Esterase From Geobacillus Stearothermophilus, PDB code: 5bn1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of AXE2-W215I, An Acetyl Xylan Esterase From Geobacillus Stearothermophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of AXE2-W215I, An Acetyl Xylan Esterase From Geobacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:21.2 occ:0.80 OG A:SER15 2.7 20.3 1.0 ND2 A:ASN92 3.0 13.6 1.0 N A:GLY63 3.0 14.9 1.0 O A:HOH596 3.1 43.5 1.0 N A:SER15 3.2 13.9 1.0 CB A:SER15 3.2 15.3 1.0 CA A:GLY63 3.6 16.1 1.0 OD1 A:ASN92 3.7 16.1 1.0 CB A:ASP14 3.7 13.7 1.0 O A:HOH491 3.7 23.9 1.0 CG A:ASN92 3.8 13.9 1.0 CA A:SER15 3.8 14.6 1.0 C A:SER62 4.0 13.7 1.0 CA A:SER62 4.0 16.0 0.3 OG A:SER62 4.1 18.8 0.7 CA A:SER62 4.1 16.6 0.7 CG A:ASP14 4.1 15.3 1.0 C A:ASP14 4.3 12.9 1.0 C A:GLY63 4.4 14.3 1.0 NE2 A:HIS194 4.4 18.3 1.0 CB A:SER62 4.5 17.0 0.3 CA A:ASP14 4.5 13.7 1.0 OD1 A:ASP14 4.5 14.8 1.0 N A:ASN64 4.6 14.5 1.0 OD2 A:ASP14 4.7 15.8 1.0 CB A:SER62 4.7 18.0 0.7 C A:SER15 4.9 14.4 1.0 O A:HOH488 5.0 36.6 1.0 N A:ILE16 5.0 13.8 1.0

Chlorine binding site 2 out of 2 in the Structure of AXE2-W215I, An Acetyl Xylan Esterase From Geobacillus Stearothermophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of AXE2-W215I, An Acetyl Xylan Esterase From Geobacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:25.1 occ:1.00 OG B:SER15 2.7 23.8 1.0 ND2 B:ASN92 3.0 14.7 1.0 N B:GLY63 3.0 16.9 1.0 O B:HOH565 3.1 39.3 1.0 N B:SER15 3.2 13.0 1.0 CB B:SER15 3.2 17.5 1.0 CA B:GLY63 3.7 15.9 1.0 OD1 B:ASN92 3.7 17.3 1.0 O B:HOH485 3.7 24.6 1.0 CG B:ASN92 3.7 13.3 1.0 CB B:ASP14 3.7 13.7 1.0 CA B:SER15 3.8 14.2 1.0 C B:SER62 4.0 16.4 1.0 OG B:SER62 4.1 22.6 1.0 CA B:SER62 4.1 15.4 1.0 CG B:ASP14 4.1 16.0 1.0 C B:ASP14 4.3 11.3 1.0 NE2 B:HIS194 4.3 19.1 1.0 C B:GLY63 4.4 15.0 1.0 OD1 B:ASP14 4.5 15.1 1.0 CA B:ASP14 4.5 12.9 1.0 N B:ASN64 4.6 14.6 1.0 OD2 B:ASP14 4.7 16.7 1.0 CB B:SER62 4.8 19.1 1.0 C B:SER15 4.9 15.0 1.0 N B:ILE16 5.0 14.5 1.0

S.Lansky, O.Alalouf, H.V.Solomon, A.Alhassid, L.Govada, N.E.Chayen, H.Belrahli, Y.Shoham, G.Shoham. A Unique Octameric Structure of AXE2, An Intracellular Acetyl-Xylooligosaccharide Esterase From Geobacillus Stearothermophilus To Be Published.