Chlorine in PDB 3lez: Crystal Structure of A Halotolerant Bacterial Beta-Lactamase

All present enzymatic activity of Crystal Structure of A Halotolerant Bacterial Beta-Lactamase:
3.5.2.6;

The structure of Crystal Structure of A Halotolerant Bacterial Beta-Lactamase, PDB code: 3lez was solved by C.A.Smith, S.B.Vakulenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.85 / 1.25
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	55.980, 55.980, 165.890, 90.00, 90.00, 120.00
R / Rfree (%)	15.4 / 17.4

The structure of Crystal Structure of A Halotolerant Bacterial Beta-Lactamase also contains other interesting chemical elements:

Calcium

(Ca)

8 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Halotolerant Bacterial Beta-Lactamase (pdb code 3lez). 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 Crystal Structure of A Halotolerant Bacterial Beta-Lactamase, PDB code: 3lez:

Chlorine binding site 1 out of 1 in the Crystal Structure of A Halotolerant Bacterial Beta-Lactamase


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 Halotolerant Bacterial Beta-Lactamase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl20 b:22.2 occ:1.00 O A:HOH535 3.0 21.3 1.0 O A:HOH517 3.1 20.7 1.0 N A:ASP159 3.3 15.9 1.0 O A:HOH494 3.4 35.0 1.0 CD A:PRO158 3.5 16.7 1.0 CG A:ASP159 3.6 19.4 1.0 CB A:ASP159 3.6 17.7 1.0 OD1 A:ASP159 3.6 18.7 1.0 N A:PRO158 3.7 15.9 1.0 CA A:ASP159 4.1 16.9 1.0 C A:GLY157 4.1 15.7 1.0 CB A:PRO158 4.1 17.2 1.0 CG A:PRO158 4.2 17.6 1.0 OD2 A:ASP159 4.2 20.8 1.0 C A:PRO158 4.3 16.2 1.0 CA A:PRO158 4.3 16.5 1.0 CA A:GLY157 4.3 16.5 1.0 O A:ASP176 4.5 17.6 1.0 O A:HOH631 4.6 38.6 1.0 O A:HOH587 4.6 25.7 1.0 O A:HOH500 4.6 20.3 1.0 O A:HOH488 4.8 63.1 1.0 O A:GLY157 4.9 15.5 1.0 CA A:CA2 5.0 19.0 1.0

M.Toth, C.Smith, H.Frase, S.Mobashery, S.Vakulenko. An Antibiotic-Resistance Enzyme From A Deep-Sea Bacterium J.Am.Chem.Soc. V. 132 816 2010.
ISSN: ISSN 0002-7863
PubMed: 20000704
DOI: 10.1021/JA908850P