Chlorine in PDB 4efz: Crystal Structure of A Hypothetical Metallo-Beta-Lactamase From Burkholderia Pseudomallei

The structure of Crystal Structure of A Hypothetical Metallo-Beta-Lactamase From Burkholderia Pseudomallei, PDB code: 4efz was solved by Ssgcid, Seattle Structural Genomics Center For Infectious Disease, Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.76 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.320, 83.500, 96.440, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 19.7

The structure of Crystal Structure of A Hypothetical Metallo-Beta-Lactamase From Burkholderia Pseudomallei also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Hypothetical Metallo-Beta-Lactamase From Burkholderia Pseudomallei (pdb code 4efz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of A Hypothetical Metallo-Beta-Lactamase From Burkholderia Pseudomallei, PDB code: 4efz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A Hypothetical Metallo-Beta-Lactamase From Burkholderia Pseudomallei


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 Hypothetical Metallo-Beta-Lactamase From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:62.1 occ:1.00 N A:GLY186 3.5 29.0 1.0 O A:HOH630 4.1 54.7 1.0 CA A:PRO185 4.3 29.8 1.0 CA A:GLY186 4.3 27.2 1.0 C A:PRO185 4.3 30.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Hypothetical Metallo-Beta-Lactamase From Burkholderia Pseudomallei


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 Hypothetical Metallo-Beta-Lactamase From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:59.5 occ:1.00 N B:GLY186 3.3 21.0 1.0 O B:HOH548 3.8 39.1 1.0 CA B:PRO185 4.0 21.7 1.0 O B:HOH558 4.1 41.7 1.0 C B:PRO185 4.2 21.3 1.0 CA B:GLY186 4.2 22.9 1.0 CB B:PRO185 4.7 24.3 1.0 O B:PHE184 4.8 24.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Hypothetical Metallo-Beta-Lactamase From Burkholderia Pseudomallei


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 A Hypothetical Metallo-Beta-Lactamase From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:59.1 occ:1.00 N B:HIS113 3.2 22.5 1.0 CA B:HIS113 4.0 20.4 1.0 CA B:ALA112 4.1 23.8 1.0 C B:ALA112 4.1 21.5 1.0 CB B:HIS113 4.1 22.5 1.0 N B:ASP114 4.1 18.3 1.0 C B:HIS113 4.2 20.8 1.0 O B:HOH633 4.4 44.9 1.0 CB B:ALA112 4.4 30.7 1.0 CB B:ASP114 4.4 25.6 1.0 CG B:ASP114 4.6 27.5 1.0 CG B:HIS113 4.6 30.0 1.0 OD1 B:ASP114 4.8 24.7 1.0 CA B:ASP114 4.9 20.9 1.0 O B:HIS113 4.9 21.9 1.0 OD2 B:ASP114 4.9 31.4 1.0

J.W.Fairman, T.K.Craig, B.L.Staker, L.Stewart. Crystal Structure of A Hypothetical Metallo-Beta-Lactamase From Burkholderia Pseudomallei To Be Published.