Chlorine in PDB 4jhl: Crystal Structure of of AXE2, An Acetylxylan Esterase From Geobacillus Stearothermophilus

The structure of Crystal Structure of of AXE2, An Acetylxylan Esterase From Geobacillus Stearothermophilus, PDB code: 4jhl 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)	29.88 / 1.70
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	110.301, 110.301, 213.088, 90.00, 90.00, 90.00
R / Rfree (%)	13.1 / 16.4

The binding sites of Chlorine atom in the Crystal Structure of of AXE2, An Acetylxylan Esterase From Geobacillus Stearothermophilus (pdb code 4jhl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of of AXE2, An Acetylxylan Esterase From Geobacillus Stearothermophilus, PDB code: 4jhl:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of of AXE2, 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 of AXE2, An Acetylxylan Esterase From Geobacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:23.7 occ:0.75 O A:HOH675 2.0 41.1 1.0 O A:HOH677 2.7 57.8 1.0 OG A:SER15 2.8 26.7 1.0 N A:GLY63 3.0 17.4 1.0 ND2 A:ASN92 3.0 16.4 1.0 N A:SER15 3.1 16.3 1.0 CB A:SER15 3.2 19.9 1.0 CA A:GLY63 3.7 17.5 1.0 OD1 A:ASN92 3.7 18.9 1.0 CA A:SER15 3.7 15.3 1.0 CB A:ASP14 3.7 16.4 1.0 CG A:ASN92 3.8 16.6 1.0 O A:HOH467 3.9 25.3 1.0 C A:SER62 4.0 17.7 1.0 OG A:SER62 4.0 21.0 0.7 CA A:SER62 4.1 18.9 0.7 CA A:SER62 4.1 18.5 0.3 CG A:ASP14 4.2 20.2 1.0 C A:ASP14 4.2 15.8 1.0 C A:GLY63 4.4 18.5 1.0 NE2 A:HIS194 4.4 22.4 1.0 CA A:ASP14 4.5 16.5 1.0 OD1 A:ASP14 4.5 19.2 1.0 N A:ASN64 4.6 16.2 1.0 CB A:SER62 4.7 20.0 0.7 CB A:SER62 4.7 19.4 0.3 OD2 A:ASP14 4.8 21.6 1.0 C A:SER15 4.9 16.4 1.0 N A:ILE16 4.9 14.7 1.0 O A:HOH557 5.0 48.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of of AXE2, 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 of AXE2, An Acetylxylan Esterase From Geobacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:43.5 occ:1.00 O A:HOH676 2.6 42.7 1.0 N A:PHE30 3.1 40.0 1.0 N A:ALA32 3.4 24.3 1.0 C A:PHE30 3.4 38.9 1.0 CA A:PHE30 3.4 41.8 1.0 CB A:ALA32 3.4 24.2 1.0 CB A:PHE30 3.5 41.7 1.0 N A:GLY31 3.5 29.4 1.0 C A:GLY28 3.8 46.5 1.0 N A:SER29 3.8 37.9 1.0 O A:PHE30 4.0 36.0 1.0 CA A:GLY28 4.0 43.5 1.0 CA A:ALA32 4.0 21.3 1.0 O A:GLY28 4.1 37.2 1.0 C A:SER29 4.3 39.8 1.0 C A:GLY31 4.3 26.9 1.0 CA A:GLY31 4.3 26.1 1.0 O A:HOH663 4.4 46.2 1.0 CD2 A:PHE30 4.4 38.3 1.0 CG A:PHE30 4.4 39.1 1.0 O A:HOH419 4.6 25.6 1.0 O A:GLU27 4.7 29.1 1.0 CA A:SER29 4.7 40.9 1.0 N A:GLY28 4.9 39.5 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of of AXE2, 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 3 of Crystal Structure of of AXE2, An Acetylxylan Esterase From Geobacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:23.6 occ:0.75 O B:HOH669 2.8 42.5 1.0 OG B:SER15 2.9 26.6 1.0 ND2 B:ASN92 3.0 17.8 1.0 N B:GLY63 3.0 18.5 1.0 N B:SER15 3.2 16.0 1.0 CB B:SER15 3.2 20.3 1.0 OD1 B:ASN92 3.7 19.4 1.0 CA B:GLY63 3.7 17.4 1.0 CG B:ASN92 3.8 17.5 1.0 CA B:SER15 3.8 17.8 1.0 CB B:ASP14 3.8 16.5 1.0 O B:HOH473 3.8 23.6 1.0 C B:SER62 4.0 19.3 1.0 OG B:SER62 4.0 25.8 1.0 CA B:SER62 4.1 16.9 1.0 CG B:ASP14 4.2 19.2 1.0 C B:ASP14 4.3 15.3 1.0 C B:GLY63 4.4 17.1 1.0 NE2 B:HIS194 4.5 20.6 1.0 CA B:ASP14 4.5 15.2 1.0 OD1 B:ASP14 4.5 18.5 1.0 N B:ASN64 4.7 16.6 1.0 CB B:SER62 4.7 20.3 1.0 OD2 B:ASP14 4.8 20.4 1.0 C B:SER15 4.9 15.7 1.0 N B:ILE16 4.9 15.7 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of of AXE2, 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 4 of Crystal Structure of of AXE2, An Acetylxylan Esterase From Geobacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:37.8 occ:1.00 O B:HOH646 2.7 49.1 1.0 O B:HOH620 3.0 35.7 1.0 N B:PHE30 3.3 29.7 1.0 N B:ALA32 3.3 22.2 1.0 C B:PHE30 3.5 31.6 1.0 N B:GLY31 3.5 26.8 1.0 CB B:ALA32 3.6 26.8 1.0 CA B:PHE30 3.6 30.8 1.0 CB B:PHE30 3.7 34.4 1.0 CA B:GLY28 3.9 32.9 1.0 C B:GLY28 3.9 35.2 1.0 O B:PHE30 4.0 28.8 1.0 CA B:ALA32 4.0 23.0 1.0 N B:SER29 4.1 32.4 1.0 C B:GLY31 4.3 24.8 1.0 O B:GLY28 4.3 30.6 1.0 CA B:GLY31 4.3 22.5 1.0 C B:SER29 4.4 31.0 1.0 CD1 B:PHE30 4.5 37.0 1.0 O B:HOH615 4.6 22.8 1.0 CG B:PHE30 4.6 35.9 1.0 O B:HOH626 4.6 47.3 1.0 O B:GLU27 4.7 26.0 1.0 CA B:SER29 4.8 32.8 1.0 N B:GLY28 4.9 30.6 1.0

S.Lansky, O.Alalouf, H.V.Solomon, A.Alhassid, L.Govada, N.E.Chayen, H.Belrhali, Y.Shoham, G.Shoham. A Unique Octameric Structure of AXE2, An Intracellular Acetyl-Xylooligosaccharide Esterase From Geobacillus Stearothermophilus. Acta Crystallogr.,Sect.D V. 70 261 2014.
ISSN: ISSN 0907-4449
PubMed: 24531461
DOI: 10.1107/S139900471302840X