Chlorine in PDB 5fat: Oxa-48 in Complex with Fpi-1602

All present enzymatic activity of Oxa-48 in Complex with Fpi-1602:
3.5.2.6;

The structure of Oxa-48 in Complex with Fpi-1602, PDB code: 5fat 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)	47.18 / 2.09
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.110, 75.750, 106.650, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 21.6

The structure of Oxa-48 in Complex with Fpi-1602 also contains other interesting chemical elements:

Cadmium	(Cd)	2 atoms
Cobalt	(Co)	8 atoms

The binding sites of Chlorine atom in the Oxa-48 in Complex with Fpi-1602 (pdb code 5fat). 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-1602, PDB code: 5fat:

Chlorine binding site 1 out of 1 in the Oxa-48 in Complex with Fpi-1602


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-1602 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:26.4 occ:1.00 NH1 B:ARG206 3.1 25.0 1.0 NH1 A:ARG206 3.2 26.2 1.0 NH2 B:ARG206 3.2 26.5 1.0 NH2 A:ARG206 3.2 25.7 1.0 O B:HOH493 3.2 34.7 1.0 CZ B:ARG206 3.6 26.1 1.0 CZ A:ARG206 3.6 23.9 1.0 CD2 B:LEU196 4.1 23.8 1.0 CD2 A:LEU196 4.3 23.2 1.0 CA A:GLN193 4.3 22.7 1.0 CG B:GLN193 4.4 24.2 1.0 CA B:GLN193 4.4 22.5 1.0 CG A:GLN193 4.5 23.4 1.0 CB A:GLN193 4.5 21.6 1.0 CB B:GLN193 4.5 22.8 1.0 CB B:LEU196 4.9 22.7 1.0 CB A:LEU196 4.9 20.8 1.0 NE B:ARG206 4.9 23.1 1.0 NE A:ARG206 4.9 22.8 1.0 CG B:LEU196 4.9 23.1 1.0 O A:GLN193 4.9 22.1 1.0 CG A:LEU196 5.0 20.8 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