Chlorine in PDB 4jj6: Crystal Structure of A Catalytic Mutant of AXE2 (AXE2-H194A), An Acetylxylan Esterase From Geobacillus Stearothermophilus

The structure of Crystal Structure of A Catalytic Mutant of AXE2 (AXE2-H194A), An Acetylxylan Esterase From Geobacillus Stearothermophilus, PDB code: 4jj6 was solved by S.Lansky, O.Alalouf, V.Solomon, A.Alhassid, H.Belrahli, L.Govada, N.E.Chayan, Y.Shoham, G.Shoham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.86 / 1.80
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	110.032, 110.032, 213.135, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 18.6

The binding sites of Chlorine atom in the Crystal Structure of A Catalytic Mutant of AXE2 (AXE2-H194A), An Acetylxylan Esterase From Geobacillus Stearothermophilus (pdb code 4jj6). 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 A Catalytic Mutant of AXE2 (AXE2-H194A), An Acetylxylan Esterase From Geobacillus Stearothermophilus, PDB code: 4jj6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Catalytic Mutant of AXE2 (AXE2-H194A), An Acetylxylan 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 Crystal Structure of A Catalytic Mutant of AXE2 (AXE2-H194A), An Acetylxylan Esterase From Geobacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:41.0 occ:1.00 OG A:SER15 2.8 32.7 1.0 ND2 A:ASN92 3.0 26.1 1.0 N A:GLY63 3.1 23.1 1.0 N A:SER15 3.2 24.9 1.0 CB A:SER15 3.2 25.9 1.0 OD1 A:ASN92 3.6 23.2 1.0 CA A:GLY63 3.7 25.5 1.0 CG A:ASN92 3.7 24.5 1.0 CA A:SER15 3.8 22.9 1.0 CB A:ASP14 3.8 22.3 1.0 O A:HOH518 3.9 35.8 1.0 C A:SER62 4.1 26.0 1.0 CG A:ASP14 4.1 27.6 1.0 OG A:SER62 4.1 30.1 0.7 CA A:SER62 4.2 24.7 0.3 CA A:SER62 4.2 25.8 0.7 C A:ASP14 4.3 22.5 1.0 OD1 A:ASP14 4.4 25.7 1.0 C A:GLY63 4.5 28.0 1.0 CA A:ASP14 4.5 24.4 1.0 N A:ASN64 4.7 22.0 1.0 OD2 A:ASP14 4.8 26.4 1.0 C A:SER15 4.8 22.8 1.0 CB A:SER62 4.9 30.0 0.7 N A:ILE16 4.9 21.9 1.0 CB A:SER62 4.9 25.8 0.3

Chlorine binding site 2 out of 2 in the Crystal Structure of A Catalytic Mutant of AXE2 (AXE2-H194A), An Acetylxylan 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 Crystal Structure of A Catalytic Mutant of AXE2 (AXE2-H194A), An Acetylxylan Esterase From Geobacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:39.2 occ:1.00 OG B:SER15 3.0 34.0 1.0 ND2 B:ASN92 3.0 30.0 1.0 N B:GLY63 3.1 25.3 1.0 CB B:SER15 3.2 27.7 1.0 N B:SER15 3.3 22.8 1.0 O B:HOH648 3.4 57.4 1.0 OD1 B:ASN92 3.7 24.6 1.0 CG B:ASN92 3.7 29.4 1.0 CA B:GLY63 3.8 26.4 1.0 CB B:ASP14 3.8 22.7 1.0 CA B:SER15 3.9 23.5 1.0 O B:HOH610 4.0 47.2 1.0 O B:HOH609 4.0 47.4 1.0 OG B:SER62 4.1 39.9 1.0 C B:SER62 4.1 28.5 1.0 CG B:ASP14 4.2 26.0 1.0 CA B:SER62 4.2 27.0 1.0 C B:ASP14 4.4 22.7 1.0 C B:GLY63 4.5 24.6 1.0 OD1 B:ASP14 4.5 25.3 1.0 CA B:ASP14 4.6 23.8 1.0 OD2 B:ASP14 4.8 26.7 1.0 N B:ASN64 4.8 24.6 1.0 CB B:SER62 4.8 31.5 1.0 C B:SER15 4.9 24.4 1.0 N B:ILE16 5.0 23.4 1.0

S.Lansky, O.Alalouf, V.Solomon, A.Alhassid, H.Belrahli, L.Govada, N.E.Chayan, Y.Shoham, G.Shoham. To Be Published To Be Published.