Chlorine in PDB 4bau: Structure of A Putative Epoxide Hydrolase T131D Mutant From Pseudomonas Aeruginosa, with Bound Mfa

The structure of Structure of A Putative Epoxide Hydrolase T131D Mutant From Pseudomonas Aeruginosa, with Bound Mfa, PDB code: 4bau was solved by J.W.Schmidberger, R.Schnell, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.57 / 1.55
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	83.860, 83.860, 140.570, 90.00, 90.00, 90.00
R / Rfree (%)	13.735 / 17.094

The structure of Structure of A Putative Epoxide Hydrolase T131D Mutant From Pseudomonas Aeruginosa, with Bound Mfa also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Chlorine atom in the Structure of A Putative Epoxide Hydrolase T131D Mutant From Pseudomonas Aeruginosa, with Bound Mfa (pdb code 4bau). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of A Putative Epoxide Hydrolase T131D Mutant From Pseudomonas Aeruginosa, with Bound Mfa, PDB code: 4bau:

Chlorine binding site 1 out of 1 in the Structure of A Putative Epoxide Hydrolase T131D Mutant From Pseudomonas Aeruginosa, with Bound Mfa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Putative Epoxide Hydrolase T131D Mutant From Pseudomonas Aeruginosa, with Bound Mfa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1316 b:35.8 occ:1.00 O A:HOH2160 2.8 15.4 1.0 O A:HOH2166 2.8 15.5 1.0 NE A:ARG111 2.9 14.1 1.0 NH2 A:ARG111 3.5 14.5 1.0 OD2 A:ASP107 3.5 12.0 1.0 C A:ASP107 3.6 9.1 1.0 CG A:ASP107 3.6 10.1 1.0 CZ A:ARG111 3.6 12.6 1.0 CA A:ASP107 3.6 8.4 1.0 NH1 A:ARG108 3.7 14.9 1.0 OD1 A:ASP107 3.9 10.2 1.0 N A:ARG108 3.9 8.2 1.0 CD A:ARG111 3.9 12.7 1.0 CG2 A:VAL132 4.0 8.7 1.0 O A:ASP107 4.0 9.4 1.0 CD A:ARG108 4.1 11.4 1.0 CB A:ASP107 4.2 8.5 1.0 CZ2 A:TRP153 4.3 16.0 1.0 CH3 A:FAH1311 4.4 20.3 0.9 CA A:ARG108 4.5 8.7 1.0 CZ A:ARG108 4.6 12.3 1.0 CG A:ARG111 4.6 10.2 1.0 NE A:ARG108 4.7 11.6 1.0 NE2 A:HIS274 4.8 10.9 1.0 CH2 A:TRP153 4.8 15.5 1.0 OXT A:FAH1311 4.9 17.2 0.9 N A:ASP107 4.9 8.5 1.0 NH1 A:ARG111 4.9 13.7 1.0 CE1 A:HIS274 5.0 10.9 1.0

J.W.Schmidberger, R.Schnell, G.Schneider. Structure of A Putative Epoxide Hydrolase T131D Mutant From Pseudomonas Aeruginosa, with Bound Mfa To Be Published.