Chlorine in PDB 2wk0: Crystal Structure of the Class A Beta-Lactamase BS3 Inhibited By 6-Beta-Iodopenicillanate.

All present enzymatic activity of Crystal Structure of the Class A Beta-Lactamase BS3 Inhibited By 6-Beta-Iodopenicillanate.:
3.5.2.6;

The structure of Crystal Structure of the Class A Beta-Lactamase BS3 Inhibited By 6-Beta-Iodopenicillanate., PDB code: 2wk0 was solved by E.Sauvage, A.Zervosen, G.Dive, R.Herman, F.Kerff, A.Amoroso, E.Fonze, R.F.Pratt, A.Luxen, P.Charlier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.70 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.988, 104.479, 63.740, 90.00, 94.07, 90.00
R / Rfree (%)	18.89 / 21.14

The binding sites of Chlorine atom in the Crystal Structure of the Class A Beta-Lactamase BS3 Inhibited By 6-Beta-Iodopenicillanate. (pdb code 2wk0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Class A Beta-Lactamase BS3 Inhibited By 6-Beta-Iodopenicillanate., PDB code: 2wk0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Class A Beta-Lactamase BS3 Inhibited By 6-Beta-Iodopenicillanate.


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 the Class A Beta-Lactamase BS3 Inhibited By 6-Beta-Iodopenicillanate. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:14.5 occ:1.00 OG1 A:THR235 3.0 9.0 1.0 OG A:SER130 3.0 8.4 1.0 O A:HOH2167 3.1 22.5 1.0 C12 A:BIY300 3.4 11.1 1.0 O A:THR235 3.4 9.8 1.0 NZ A:LYS234 3.5 7.8 1.0 CB A:SER70 3.5 9.5 1.0 CB A:SER130 3.6 10.1 1.0 O14 A:BIY300 3.6 11.1 1.0 C A:THR235 3.7 9.1 1.0 OG A:SER70 3.7 9.0 1.0 C3 A:BIY300 3.8 11.6 1.0 CA A:GLY236 3.8 8.9 1.0 C11 A:BIY300 3.9 14.3 1.0 N A:GLY236 3.9 9.0 1.0 CB A:THR235 3.9 8.7 1.0 C2 A:BIY300 4.3 13.3 1.0 C A:GLY236 4.3 8.8 1.0 CA A:THR235 4.4 8.6 1.0 S4 A:BIY300 4.4 14.4 1.0 N A:ALA237 4.5 9.0 1.0 NH1 A:ARG244 4.7 11.0 1.0 O A:HOH2160 4.7 14.1 1.0 OG1 A:THR216 4.7 10.6 1.0 C5 A:BIY300 4.8 15.7 1.0 CA A:SER70 4.9 9.2 1.0 CE A:LYS234 4.9 9.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Class A Beta-Lactamase BS3 Inhibited By 6-Beta-Iodopenicillanate.


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 the Class A Beta-Lactamase BS3 Inhibited By 6-Beta-Iodopenicillanate. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:17.8 occ:1.00 OG B:SER130 3.0 16.3 1.0 OG1 B:THR235 3.0 14.9 1.0 O B:HOH2121 3.1 28.6 1.0 C12 B:BIY300 3.4 17.4 1.0 CB B:SER130 3.5 16.8 1.0 O B:THR235 3.6 15.0 1.0 O14 B:BIY300 3.6 17.2 1.0 NZ B:LYS234 3.6 14.0 1.0 CB B:SER70 3.6 9.4 1.0 OG B:SER70 3.6 10.4 1.0 C3 B:BIY300 3.7 19.4 1.0 C B:THR235 3.7 14.9 1.0 CB B:THR235 3.9 14.5 1.0 CA B:GLY236 3.9 14.6 1.0 N B:GLY236 4.0 14.8 1.0 C11 B:BIY300 4.1 22.4 1.0 C2 B:BIY300 4.1 22.4 1.0 S4 B:BIY300 4.4 19.4 1.0 CA B:THR235 4.4 14.6 1.0 C B:GLY236 4.5 14.6 1.0 N B:ALA237 4.6 14.9 1.0 OG1 B:THR216 4.7 15.3 1.0 NH1 B:ARG244 4.7 16.2 1.0 O B:HOH2114 4.8 19.9 1.0 C5 B:BIY300 4.9 21.7 1.0 N1 B:BIY300 4.9 21.9 1.0 CE B:LYS234 5.0 13.6 1.0

E.Sauvage, A.Zervosen, G.Dive, R.Herman, A.Amoroso, B.Joris, E.Fonze, R.F.Pratt, A.Luxen, P.Charlier, F.Kerff. Structural Basis of the Inhibition of Class A Beta- Lactamases and Penicillin-Binding Proteins By 6- Beta-Iodopenicillanate. J.Am.Chem.Soc. V. 131 15262 2009.
ISSN: ISSN 0002-7863
PubMed: 19919161
DOI: 10.1021/JA9051526