Chlorine in PDB 4oao: A Mutant of AXE2 (R55A), and Acetyl-Xylooligosaccharide Esterase From Geobacillus Stearmophilus

The structure of A Mutant of AXE2 (R55A), and Acetyl-Xylooligosaccharide Esterase From Geobacillus Stearmophilus, PDB code: 4oao was solved by S.Lansky, O.Alalouf, H.V.Solomon, H.Belrhali, Y.Shoham, G.Shoham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.00 / 2.05
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	108.638, 108.638, 214.423, 90.00, 90.00, 90.00
R / Rfree (%)	13.7 / 17

The binding sites of Chlorine atom in the A Mutant of AXE2 (R55A), and Acetyl-Xylooligosaccharide Esterase From Geobacillus Stearmophilus (pdb code 4oao). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the A Mutant of AXE2 (R55A), and Acetyl-Xylooligosaccharide Esterase From Geobacillus Stearmophilus, PDB code: 4oao:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the A Mutant of AXE2 (R55A), and Acetyl-Xylooligosaccharide Esterase From Geobacillus Stearmophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A Mutant of AXE2 (R55A), and Acetyl-Xylooligosaccharide Esterase From Geobacillus Stearmophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:40.0 occ:1.00 O A:HOH579 2.4 49.4 1.0 O A:HOH578 2.6 75.8 1.0 OG A:SER15 2.8 31.7 1.0 ND2 A:ASN92 3.1 23.4 1.0 N A:GLY63 3.1 22.2 1.0 CB A:SER15 3.1 23.5 1.0 N A:SER15 3.2 23.2 1.0 OD1 A:ASN92 3.7 24.8 1.0 CA A:SER15 3.7 24.0 1.0 O A:HOH468 3.7 30.5 1.0 CA A:GLY63 3.8 24.0 1.0 CG A:ASN92 3.8 22.8 1.0 CB A:ASP14 3.8 20.9 1.0 C A:SER62 4.1 22.4 1.0 CA A:SER62 4.1 23.2 0.3 OG A:SER62 4.1 28.0 0.7 CA A:SER62 4.2 24.4 0.7 CG A:ASP14 4.2 21.4 1.0 C A:ASP14 4.3 20.4 1.0 CE1 A:HIS194 4.3 21.9 1.0 OD1 A:ASP14 4.5 21.5 1.0 C A:GLY63 4.5 24.6 1.0 CA A:ASP14 4.6 21.3 1.0 CB A:SER62 4.7 24.2 0.3 OD2 A:ASP14 4.8 23.1 1.0 C A:SER15 4.8 23.0 1.0 N A:ILE16 4.8 21.8 1.0 N A:ASN64 4.8 25.4 1.0 CB A:SER62 4.9 27.1 0.7

Chlorine binding site 2 out of 2 in the A Mutant of AXE2 (R55A), and Acetyl-Xylooligosaccharide Esterase From Geobacillus Stearmophilus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A Mutant of AXE2 (R55A), and Acetyl-Xylooligosaccharide Esterase From Geobacillus Stearmophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:38.8 occ:1.00 OG B:SER15 2.7 29.1 1.0 ND2 B:ASN92 3.1 20.3 1.0 N B:GLY63 3.2 22.6 1.0 N B:SER15 3.2 19.4 1.0 CB B:SER15 3.2 24.1 1.0 OD1 B:ASN92 3.6 25.6 1.0 CG B:ASN92 3.8 22.5 1.0 CB B:ASP14 3.8 21.8 1.0 CA B:SER15 3.8 21.4 1.0 O B:HOH462 3.8 28.9 1.0 CA B:GLY63 3.9 22.6 1.0 C B:SER62 4.1 24.0 1.0 CG B:ASP14 4.1 22.9 1.0 CA B:SER62 4.1 22.3 1.0 OG B:SER62 4.2 29.5 1.0 C B:ASP14 4.2 20.4 1.0 CE1 B:HIS194 4.2 21.0 1.0 OD1 B:ASP14 4.5 21.4 1.0 CA B:ASP14 4.5 22.4 1.0 C B:GLY63 4.6 23.0 1.0 OD2 B:ASP14 4.7 22.8 1.0 N B:ASN64 4.8 22.9 1.0 CB B:SER62 4.8 27.8 1.0 C B:SER15 4.9 21.7 1.0 N B:ILE16 4.9 21.2 1.0 NE2 B:HIS194 4.9 24.0 1.0

S.Lansky, O.Alalouf, H.V.Solomon, H.Belrhali, Y.Shoham, G.Shoham. A Mutant of AXE2 (R55A), and Acetyl-Xylooligosaccharide Esterase From Geobacillus Stearmophilus To Be Published.