Chlorine in PDB 3bwx: Crystal Structure of An Alpha/Beta Hydrolase (YP_496220.1) From Novosphingobium Aromaticivorans Dsm 12444 at 1.50 A Resolution

The structure of Crystal Structure of An Alpha/Beta Hydrolase (YP_496220.1) From Novosphingobium Aromaticivorans Dsm 12444 at 1.50 A Resolution, PDB code: 3bwx was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.71 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.480, 69.950, 82.220, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 20.3

The structure of Crystal Structure of An Alpha/Beta Hydrolase (YP_496220.1) From Novosphingobium Aromaticivorans Dsm 12444 at 1.50 A Resolution also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of An Alpha/Beta Hydrolase (YP_496220.1) From Novosphingobium Aromaticivorans Dsm 12444 at 1.50 A Resolution (pdb code 3bwx). 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 An Alpha/Beta Hydrolase (YP_496220.1) From Novosphingobium Aromaticivorans Dsm 12444 at 1.50 A Resolution, PDB code: 3bwx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of An Alpha/Beta Hydrolase (YP_496220.1) From Novosphingobium Aromaticivorans Dsm 12444 at 1.50 A Resolution


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 An Alpha/Beta Hydrolase (YP_496220.1) From Novosphingobium Aromaticivorans Dsm 12444 at 1.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl287 b:16.3 occ:1.00 O A:HOH310 3.0 9.4 1.0 O A:HOH398 3.1 16.6 1.0 O A:HOH357 3.2 13.1 1.0 O A:HOH516 3.3 31.6 1.0 N A:GLY210 3.4 15.4 1.0 CD A:PRO79 3.8 11.2 1.0 CD1 A:LEU37 3.9 14.5 1.0 CG A:PRO79 4.0 14.1 1.0 CA A:GLY210 4.1 17.2 1.0 O A:HOH424 4.1 13.1 1.0 CG2 A:VAL209 4.2 12.8 1.0 O A:HOH336 4.3 12.1 1.0 C A:VAL209 4.4 13.3 1.0 CA A:VAL209 4.4 11.3 1.0 C A:GLY210 4.6 18.3 1.0 O A:TYR77 4.7 9.4 1.0 N A:PRO79 4.7 9.0 1.0 N A:ALA211 4.7 17.1 1.0 CD2 A:LEU105 4.7 16.8 1.0 CA A:GLN78 4.7 11.0 1.0 O A:ALA211 4.8 19.1 1.0 CE2 A:TYR82 4.9 5.9 1.0 CB A:VAL209 4.9 13.1 1.0 O A:HOH349 5.0 12.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of An Alpha/Beta Hydrolase (YP_496220.1) From Novosphingobium Aromaticivorans Dsm 12444 at 1.50 A Resolution


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 An Alpha/Beta Hydrolase (YP_496220.1) From Novosphingobium Aromaticivorans Dsm 12444 at 1.50 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl288 b:22.8 occ:1.00 N A:GLU152 3.0 12.5 1.0 ND1 A:HIS156 3.1 24.6 1.0 CB A:HIS156 3.6 9.3 1.0 CA A:PHE151 3.7 8.3 1.0 O A:HOH537 3.7 29.1 1.0 CG A:HIS156 3.7 12.8 1.0 C A:PHE151 3.8 9.1 1.0 CB A:GLU152 3.9 16.7 1.0 CB A:PHE151 3.9 9.8 1.0 CA A:GLU152 3.9 12.5 1.0 CD1 A:PHE151 4.2 14.5 1.0 CE1 A:HIS156 4.2 16.7 1.0 NH2 A:ARG192 4.2 13.9 1.0 N A:THR153 4.3 8.1 1.0 O A:HOH434 4.4 21.2 1.0 CG A:PHE151 4.5 11.3 1.0 NH1 A:ARG192 4.7 14.3 1.0 C A:GLU152 4.7 11.1 1.0 CZ A:ARG192 4.8 10.1 1.0 O A:ASN150 4.9 9.9 1.0 CD2 A:HIS156 5.0 20.1 1.0 N A:PHE151 5.0 8.0 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.