Sodium in PDB 5eua: Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 in Complex with Moxalactam

All present enzymatic activity of Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 in Complex with Moxalactam:
3.5.2.6;

The structure of Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 in Complex with Moxalactam, PDB code: 5eua was solved by C.Pozzi, F.De Luca, M.Benvenuti, J.D.Docquier, S.Mangani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.58 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.530, 80.910, 86.640, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 21.5

The binding sites of Sodium atom in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 in Complex with Moxalactam (pdb code 5eua). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 in Complex with Moxalactam, PDB code: 5eua:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 in Complex with Moxalactam


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 in Complex with Moxalactam within 5.0Å range: probe atom residue distance (Å) B Occ A:Na302 b:35.5 occ:1.00 O A:ARG215 2.3 18.8 1.0 O A:HOH414 2.4 41.2 1.0 O A:HOH467 2.4 36.2 1.0 O A:LEU218 2.5 19.6 1.0 OD1 A:ASP220 2.5 28.0 0.7 O A:HOH538 2.5 35.6 1.0 C A:ARG215 3.4 20.3 1.0 C A:LEU218 3.6 20.3 1.0 CG A:ASP220 3.7 27.1 0.7 N A:ASP220 3.8 22.6 1.0 C A:PRO219 3.9 22.7 1.0 CA A:ASP220 3.9 23.3 1.0 O A:PRO219 4.0 19.9 1.0 N A:LEU218 4.1 21.1 1.0 CA A:ALA216 4.2 19.4 1.0 N A:ALA216 4.2 17.4 1.0 CA A:LEU218 4.3 20.7 1.0 CA A:ARG215 4.3 19.8 1.0 O A:HOH444 4.4 36.4 1.0 C A:ALA216 4.4 21.2 1.0 CB A:ASP220 4.5 26.0 1.0 CB A:LEU218 4.5 21.6 1.0 CB A:ARG215 4.5 25.1 1.0 N A:PRO219 4.5 23.1 1.0 CA A:PRO219 4.6 24.1 1.0 OD2 A:ASP220 4.7 28.4 0.7 O A:ALA216 4.7 23.4 1.0 N A:GLY217 4.9 20.7 1.0 O A:HOH531 5.0 51.9 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 in Complex with Moxalactam


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 in Complex with Moxalactam within 5.0Å range: probe atom residue distance (Å) B Occ B:Na302 b:41.0 occ:1.00 O B:ARG215 2.3 27.9 1.0 O B:HOH477 2.3 43.1 1.0 O B:LEU218 2.5 29.4 1.0 O B:HOH505 2.6 48.0 1.0 OD1 B:ASP220 2.6 48.0 1.0 O B:HOH501 2.6 53.0 1.0 C B:LEU218 3.5 32.2 1.0 C B:ARG215 3.5 23.8 1.0 CG B:ASP220 3.7 44.6 1.0 N B:ASP220 3.9 32.7 1.0 C B:PRO219 3.9 32.1 1.0 O B:PRO219 4.1 27.4 1.0 N B:LEU218 4.1 26.9 1.0 CA B:ASP220 4.1 35.0 1.0 CA B:LEU218 4.2 28.4 1.0 CA B:ALA216 4.3 24.7 1.0 N B:ALA216 4.4 22.6 1.0 N B:PRO219 4.4 32.5 1.0 CB B:LEU218 4.5 29.7 1.0 C B:ALA216 4.5 28.7 1.0 CA B:ARG215 4.5 24.6 1.0 OD2 B:ASP220 4.5 52.1 1.0 CB B:ASP220 4.6 40.7 1.0 CA B:PRO219 4.6 33.7 1.0 CB B:ARG215 4.6 25.8 1.0 O B:ALA216 4.8 27.3 1.0 N B:GLY217 4.9 25.5 1.0 O B:HOH471 4.9 47.8 1.0

C.Pozzi, F.De Luca, M.Benvenuti, L.Poirel, P.Nordmann, G.M.Rossolini, S.Mangani, J.D.Docquier. Crystal Structure of the Pseudomonas Aeruginosa Bel-1 Extended-Spectrum Beta-Lactamase and Its Complexes with Moxalactam and Imipenem. Antimicrob.Agents Chemother. V. 60 7189 2016.
ISSN: ESSN 1098-6596
PubMed: 27671060
DOI: 10.1128/AAC.00936-16