Chlorine in PDB 5fas: Oxa-48 in Complex with Fpi-1523

All present enzymatic activity of Oxa-48 in Complex with Fpi-1523:
3.5.2.6;

The structure of Oxa-48 in Complex with Fpi-1523, PDB code: 5fas was solved by A.M.King, D.T.King, S.French, E.Brouillette, A.Asli, A.N.Alexander, M.Vuckovic, S.N.Maiti, T.R.Parr, E.D.Brown, F.Malouin, N.C.J.Strynadka, G.D.Wright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.62 / 1.74
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.080, 75.800, 106.670, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 17.8

The structure of Oxa-48 in Complex with Fpi-1523 also contains other interesting chemical elements:

Cadmium	(Cd)	2 atoms
Cobalt	(Co)	7 atoms

The binding sites of Chlorine atom in the Oxa-48 in Complex with Fpi-1523 (pdb code 5fas). 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 Oxa-48 in Complex with Fpi-1523, PDB code: 5fas:

Chlorine binding site 1 out of 1 in the Oxa-48 in Complex with Fpi-1523


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Oxa-48 in Complex with Fpi-1523 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:19.2 occ:1.00 O B:HOH556 3.2 32.8 1.0 NH2 B:ARG206 3.2 19.4 1.0 NH2 A:ARG206 3.2 19.9 1.0 NH1 B:ARG206 3.2 16.0 1.0 NH1 A:ARG206 3.3 15.3 1.0 O A:HOH621 3.3 29.6 1.0 CZ B:ARG206 3.7 19.1 1.0 CZ A:ARG206 3.7 16.7 1.0 CD2 A:LEU196 4.2 18.0 1.0 CD2 B:LEU196 4.2 17.0 1.0 CA A:GLN193 4.3 14.7 1.0 CA B:GLN193 4.3 14.6 1.0 CG A:GLN193 4.4 16.6 1.0 CG B:GLN193 4.5 15.8 1.0 CB B:GLN193 4.6 15.3 1.0 CB A:GLN193 4.6 14.1 1.0 CB A:LEU196 4.9 14.1 1.0 CB B:LEU196 4.9 16.5 1.0 O B:GLN193 4.9 15.6 1.0 CG A:LEU196 5.0 16.5 1.0 NE A:ARG206 5.0 15.9 1.0 NE B:ARG206 5.0 15.9 1.0 CG B:LEU196 5.0 15.3 1.0 O A:GLN193 5.0 15.3 1.0

A.M.King, D.T.King, S.French, E.Brouillette, A.Asli, J.A.Alexander, M.Vuckovic, S.N.Maiti, T.R.Parr, E.D.Brown, F.Malouin, N.C.Strynadka, G.D.Wright. Structural and Kinetic Characterization of Diazabicyclooctanes As Dual Inhibitors of Both Serine-Beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol. V. 11 864 2016.
ISSN: ESSN 1554-8937
PubMed: 26731698
DOI: 10.1021/ACSCHEMBIO.5B00944