Calcium 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:

Chlorine

(Cl)

3 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of A Hypothetical Metallo-Beta-Lactamase From Burkholderia Pseudomallei, PDB code: 4efz:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of A Hypothetical Metallo-Beta-Lactamase From Burkholderia Pseudomallei


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca301 b:14.1 occ:1.00 NE2 A:HIS68 2.3 18.7 1.0 OD2 A:ASP170 2.3 22.9 1.0 O A:HOH546 2.4 28.4 1.0 NE2 A:HIS143 2.4 22.9 1.0 O A:HOH456 2.5 24.5 1.0 O A:HOH647 2.5 26.9 1.0 CD2 A:HIS68 3.2 22.4 1.0 CD2 A:HIS143 3.2 19.8 1.0 CE1 A:HIS68 3.3 17.4 1.0 CG A:ASP170 3.3 23.0 1.0 CE1 A:HIS143 3.5 19.4 1.0 CB A:ASP170 3.7 20.2 1.0 O A:HOH448 3.9 30.5 1.0 OD1 A:ASP72 4.0 32.7 1.0 ND1 A:HIS68 4.4 17.9 1.0 CG A:HIS68 4.4 17.3 1.0 CE1 A:HIS212 4.4 22.0 1.0 OD1 A:ASP170 4.4 21.1 1.0 CG A:HIS143 4.4 16.1 1.0 ND1 A:HIS70 4.4 17.3 1.0 ND1 A:HIS143 4.5 19.4 1.0 N A:ALA71 4.7 14.2 1.0 CA A:HIS70 4.8 14.6 1.0 ND1 A:HIS212 5.0 20.2 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca301 b:13.8 occ:1.00 OD2 B:ASP170 2.3 22.9 1.0 NE2 B:HIS68 2.3 18.2 1.0 NE2 B:HIS143 2.4 22.1 1.0 O B:HOH610 2.4 21.7 1.0 O B:HOH616 2.5 26.8 1.0 O B:HOH617 2.6 28.6 1.0 CD2 B:HIS143 3.2 18.0 1.0 CD2 B:HIS68 3.3 18.0 1.0 CE1 B:HIS68 3.3 16.4 1.0 CG B:ASP170 3.3 19.0 1.0 CE1 B:HIS143 3.4 17.7 1.0 CB B:ASP170 3.7 17.9 1.0 O B:HOH618 4.0 37.0 1.0 OD1 B:ASP72 4.2 25.4 1.0 CE1 B:HIS212 4.3 18.7 1.0 OD1 B:ASP170 4.4 22.3 1.0 ND1 B:HIS68 4.4 18.2 1.0 CG B:HIS68 4.4 16.9 1.0 CG B:HIS143 4.4 17.8 1.0 ND1 B:HIS143 4.5 20.3 1.0 ND1 B:HIS70 4.5 14.9 1.0 N B:ALA71 4.7 14.7 1.0 ND1 B:HIS212 4.8 19.3 1.0 CA B:HIS70 4.8 12.2 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.