Chlorine in PDB 5eoo: Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Monoclinic Form)

All present enzymatic activity of Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Monoclinic Form):
3.5.2.6;

The structure of Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Monoclinic Form), PDB code: 5eoo 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)	51.78 / 1.48
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.840, 94.690, 103.680, 90.00, 92.64, 90.00
R / Rfree (%)	16.3 / 18.7

The binding sites of Chlorine atom in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Monoclinic Form) (pdb code 5eoo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Monoclinic Form), PDB code: 5eoo:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Monoclinic Form)


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 Extended-Spectrum Beta-Lactamase Bel-1 (Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:22.4 occ:1.00 ND2 A:ASN45 3.1 17.4 1.0 OG A:SER43 3.1 12.1 1.0 CB A:SER43 3.4 10.7 1.0 N A:ASN45 3.6 12.8 1.0 CB A:ASN45 3.6 14.7 1.0 CG A:ASN45 3.8 16.6 1.0 ND2 A:ASN47 3.9 10.8 1.0 N A:GLU44 4.0 12.2 1.0 CA A:ASN45 4.2 13.2 1.0 CB A:GLU44 4.3 16.3 1.0 O A:HOH417 4.4 17.6 1.0 C A:SER43 4.5 11.7 1.0 C A:GLU44 4.5 13.4 1.0 CA A:GLU44 4.5 13.9 1.0 CA A:SER43 4.6 10.3 1.0 OD1 A:ASN45 5.0 20.3 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Monoclinic Form)


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 Extended-Spectrum Beta-Lactamase Bel-1 (Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:19.4 occ:1.00 O B:HOH442 3.2 29.6 1.0 NH2 A:ARG103 3.2 11.9 1.0 NH1 A:ARG103 3.2 11.6 1.0 NE2 B:GLN208 3.3 14.0 1.0 CZ A:ARG103 3.7 10.8 1.0 CD2 A:LEU122 3.7 9.8 0.5 CB A:PRO99 3.8 10.6 1.0 CB B:GLN208 4.0 9.7 1.0 CG B:GLN208 4.0 10.5 1.0 CD B:GLN208 4.1 11.9 1.0 CG A:PRO99 4.2 11.7 1.0 CD1 A:LEU122 4.2 10.2 0.5 CD2 A:LEU122 4.2 10.2 0.5 CG A:LEU122 4.3 9.6 0.5 O B:GLN208 4.6 11.2 1.0 CA B:GLN208 4.6 9.5 1.0 O B:HOH598 4.7 48.2 1.0 CG A:LEU122 4.8 10.1 0.5 NE A:ARG103 5.0 10.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Monoclinic Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:28.0 occ:1.00 O D:HOH612 2.7 27.5 1.0 N D:ALA98 3.1 13.7 1.0 NZ D:LYS102 3.2 22.7 1.0 O D:GLU96 3.4 31.3 1.0 N D:PRO99 3.5 12.2 1.0 C D:ALA98 3.6 12.7 1.0 CA D:TYR97 3.7 17.7 1.0 CE D:LYS102 3.8 20.5 1.0 CD D:LYS102 3.8 19.4 1.0 CA D:PRO99 3.8 12.7 1.0 CD D:PRO99 3.8 13.8 1.0 C D:TYR97 3.9 15.7 1.0 CA D:ALA98 3.9 13.7 1.0 CD1 D:TYR97 4.0 17.7 1.0 O D:ALA98 4.1 12.8 1.0 CB D:PRO99 4.2 13.8 1.0 C D:GLU96 4.3 29.2 1.0 N D:TYR97 4.5 23.8 1.0 CG D:TYR97 4.6 16.9 1.0 CE1 D:TYR97 4.6 17.0 1.0 CG D:PRO99 4.7 15.0 1.0 CB D:TYR97 4.7 17.6 1.0 CB D:ALA98 4.8 15.0 1.0 O D:GLU95 4.9 37.1 1.0 CG D:LYS102 4.9 17.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Monoclinic Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Extended-Spectrum Beta-Lactamase Bel-1 (Monoclinic Form) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl302 b:14.2 occ:1.00 OG1 D:THR63 3.1 11.7 1.0 N D:THR63 3.2 12.2 1.0 ND2 D:ASN237 3.2 13.1 1.0 N D:SER62 3.3 15.4 1.0 N D:CYS61 3.4 16.4 1.0 CG2 D:THR63 3.6 12.6 1.0 SG D:CYS231 3.7 23.4 1.0 CB D:THR63 3.8 12.2 1.0 CA D:MET60 3.9 18.0 1.0 CA D:SER62 3.9 15.1 1.0 O D:ALA59 4.0 19.1 1.0 C D:MET60 4.0 18.4 1.0 CB D:SER62 4.0 18.7 1.0 CA D:GLY229 4.0 11.9 1.0 C D:SER62 4.0 14.1 1.0 CA D:THR63 4.1 11.9 1.0 CG D:ASN237 4.1 11.7 1.0 CB D:ASN237 4.2 10.9 1.0 C D:CYS61 4.2 18.4 1.0 CA D:CYS61 4.3 19.6 1.0 CE2 D:TYR255 4.3 11.4 1.0 SG D:CYS61 4.3 25.9 1.0 C D:GLY229 4.6 12.8 1.0 N D:GLY229 4.6 10.3 1.0 CG D:MET60 4.7 17.8 1.0 C D:ALA59 4.8 18.8 1.0 N D:MET60 4.8 17.9 1.0 CB D:CYS61 4.8 22.5 1.0 CB D:MET60 4.8 18.0 1.0 OH D:TYR255 5.0 12.3 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