Chlorine in PDB 3mzd: Structure of Penicillin-Binding Protein 5 From E. Coli: Cloxacillin Acyl-Enzyme Complex

All present enzymatic activity of Structure of Penicillin-Binding Protein 5 From E. Coli: Cloxacillin Acyl-Enzyme Complex:
3.4.16.4; 3.5.2.6;

The structure of Structure of Penicillin-Binding Protein 5 From E. Coli: Cloxacillin Acyl-Enzyme Complex, PDB code: 3mzd was solved by G.Nicola, J.Tomberg, R.F.Pratt, R.A.Nicholas, C.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.00 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	109.840, 50.230, 84.030, 90.00, 119.93, 90.00
R / Rfree (%)	21.4 / 25.7

The binding sites of Chlorine atom in the Structure of Penicillin-Binding Protein 5 From E. Coli: Cloxacillin Acyl-Enzyme Complex (pdb code 3mzd). 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 Structure of Penicillin-Binding Protein 5 From E. Coli: Cloxacillin Acyl-Enzyme Complex, PDB code: 3mzd:

Chlorine binding site 1 out of 1 in the Structure of Penicillin-Binding Protein 5 From E. Coli: Cloxacillin Acyl-Enzyme Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Penicillin-Binding Protein 5 From E. Coli: Cloxacillin Acyl-Enzyme Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl364 b:44.5 occ:0.00 CL A:CXV364 0.0 44.5 0.0 C29 A:CXV364 1.7 44.5 0.0 C30 A:CXV364 2.7 44.6 0.0 C28 A:CXV364 2.7 43.9 1.0 C26 A:CXV364 3.1 43.7 1.0 C21 A:CXV364 3.3 42.1 1.0 C22 A:CXV364 3.4 42.5 1.0 O A:GLY152 3.4 32.7 1.0 N2 A:CXV364 3.5 41.5 1.0 C A:GLY152 3.6 32.9 1.0 C1 A:CXV364 3.7 33.4 1.0 O21 A:CXV364 3.7 44.2 1.0 CG2 A:THR217 3.8 39.5 1.0 N A:LEU153 3.9 33.6 1.0 OG A:SER44 3.9 27.6 1.0 O1 A:CXV364 3.9 33.1 1.0 O A:HIS151 3.9 30.0 1.0 C2 A:CXV364 4.0 38.1 1.0 C31 A:CXV364 4.0 44.2 0.0 C33 A:CXV364 4.0 44.1 0.0 OD1 A:ASN112 4.1 26.3 1.0 CA A:LEU153 4.1 34.5 1.0 N25 A:CXV364 4.1 42.9 1.0 NZ A:LYS47 4.2 23.4 1.0 CA A:GLY152 4.2 31.8 1.0 N A:SER44 4.2 24.5 1.0 C A:ALA43 4.4 24.4 1.0 CA A:SER44 4.5 24.1 1.0 C32 A:CXV364 4.5 43.8 0.0 C A:HIS151 4.6 29.2 1.0 C23 A:CXV364 4.6 43.2 1.0 ND2 A:ASN112 4.6 25.4 1.0 N A:GLY152 4.7 30.5 1.0 CG A:ASN112 4.7 23.1 1.0 O A:ALA43 4.7 25.1 1.0 CB A:SER44 4.8 25.5 1.0 O24 A:CXV364 4.8 43.2 1.0 CA A:ALA43 4.9 24.8 1.0

G.Nicola, J.Tomberg, R.F.Pratt, R.A.Nicholas, C.Davies. Crystal Structures of Covalent Complexes of Beta-Lactam Antibiotics with Escherichia Coli Penicillin-Binding Protein 5: Toward An Understanding of Antibiotic Specificity Biochemistry V. 49 8094 2010.
ISSN: ISSN 0006-2960
PubMed: 20726582
DOI: 10.1021/BI100879M