Calcium in PDB 6xj3: Crystal Structure of Class D Beta-Lactamase From Klebsiella Quasipneumoniae in Complex with Avibactam

All present enzymatic activity of Crystal Structure of Class D Beta-Lactamase From Klebsiella Quasipneumoniae in Complex with Avibactam:
3.5.2.6;

The structure of Crystal Structure of Class D Beta-Lactamase From Klebsiella Quasipneumoniae in Complex with Avibactam, PDB code: 6xj3 was solved by C.Chang, N.Maltseva, M.Endres, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.59 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.552, 88.669, 76.100, 90.00, 99.15, 90.00
R / Rfree (%)	18 / 21.9

The binding sites of Calcium atom in the Crystal Structure of Class D Beta-Lactamase From Klebsiella Quasipneumoniae in Complex with Avibactam (pdb code 6xj3). 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 Class D Beta-Lactamase From Klebsiella Quasipneumoniae in Complex with Avibactam, PDB code: 6xj3:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Class D Beta-Lactamase From Klebsiella Quasipneumoniae in Complex with Avibactam


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 Class D Beta-Lactamase From Klebsiella Quasipneumoniae in Complex with Avibactam within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:30.5 occ:1.00 O A:GLN51 2.2 37.5 1.0 O A:GLU49 2.4 26.2 1.0 O B:HOH412 2.5 28.5 1.0 O A:HOH445 2.6 30.3 1.0 O A:HOH456 2.6 33.4 1.0 O A:HOH477 2.6 28.2 1.0 O B:HOH488 2.6 32.2 1.0 C A:GLN51 3.5 40.4 1.0 C A:GLU49 3.5 23.9 1.0 N A:GLN51 4.1 41.5 1.0 CA A:GLU49 4.2 24.1 1.0 C A:ARG50 4.2 34.8 1.0 CB A:GLU49 4.3 25.1 1.0 CA A:ALA52 4.3 35.2 1.0 CA A:GLN51 4.3 44.5 1.0 N A:ALA52 4.3 35.2 1.0 N A:ARG50 4.5 25.1 1.0 O A:THR228 4.5 35.6 1.0 O A:HOH406 4.5 35.1 1.0 CA A:ARG50 4.6 29.0 1.0 OE2 B:GLU261 4.6 25.4 1.0 O A:HOH481 4.6 33.0 1.0 O A:ARG50 4.7 35.9 1.0 CB A:ALA52 4.7 32.2 1.0 OE1 B:GLU261 4.9 24.3 1.0 O A:HOH435 4.9 24.7 1.0 O A:HOH482 4.9 35.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Class D Beta-Lactamase From Klebsiella Quasipneumoniae in Complex with Avibactam


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 Class D Beta-Lactamase From Klebsiella Quasipneumoniae in Complex with Avibactam within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca306 b:28.9 occ:1.00 O B:HOH539 2.4 25.8 1.0 O B:HOH498 2.4 25.1 1.0 O B:GLN51 2.4 24.1 1.0 O B:GLU49 2.5 19.6 1.0 O A:HOH442 2.5 31.2 1.0 OD1 B:ASP53 2.6 32.2 1.0 C B:GLN51 3.5 30.0 1.0 C B:GLU49 3.5 18.9 1.0 CG B:ASP53 3.8 37.4 1.0 N B:GLN51 3.8 24.7 1.0 CA B:GLN51 4.1 32.1 1.0 C B:ARG50 4.1 24.0 1.0 CA B:GLU49 4.3 12.7 1.0 OD2 B:ASP53 4.3 37.8 1.0 N B:ASP53 4.4 34.5 1.0 CB B:GLU49 4.4 14.5 1.0 N B:ARG50 4.5 12.3 1.0 O B:THR228 4.5 17.6 1.0 O B:ARG50 4.5 21.5 1.0 CA B:ARG50 4.6 15.0 1.0 OE2 A:GLU261 4.6 31.3 1.0 N B:ALA52 4.6 31.4 1.0 C B:ALA52 4.8 40.1 1.0 O B:HOH548 4.9 39.2 1.0 OE1 A:GLU261 4.9 29.1 1.0 CA B:ALA52 4.9 35.6 1.0 CA B:ASP53 4.9 35.6 1.0 CB B:ASP53 4.9 34.5 1.0

C.Chang, N.Maltseva, M.Endres, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Class D Beta-Lactamase From Klebsiella Quasipneumoniae To Be Published.