Cadmium 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:

Cobalt	(Co)	7 atoms
Chlorine	(Cl)	1 atom

The binding sites of Cadmium atom in the Oxa-48 in Complex with Fpi-1523 (pdb code 5fas). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Oxa-48 in Complex with Fpi-1523, PDB code: 5fas:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Oxa-48 in Complex with Fpi-1523


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Oxa-48 in Complex with Fpi-1523 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd303 b:21.1 occ:1.00 OD2 A:ASP143 2.3 21.4 1.0 O A:HOH448 2.4 25.9 1.0 OD1 A:ASP143 2.4 20.4 1.0 O A:HOH606 2.4 21.8 1.0 CG A:ASP143 2.6 19.7 1.0 CB A:ASP143 4.2 18.3 1.0 O A:HOH500 4.2 31.4 1.0 O A:HOH438 4.2 23.4 1.0 O A:HIS140 4.5 21.7 1.0 O A:HOH639 4.5 40.5 1.0 O A:ALA141 4.5 20.6 1.0 N A:ASP143 5.0 16.7 1.0

Cadmium binding site 2 out of 2 in the Oxa-48 in Complex with Fpi-1523


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Oxa-48 in Complex with Fpi-1523 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd304 b:19.9 occ:1.00 NE2 A:HIS38 2.2 21.4 1.0 OE2 A:GLU256 2.3 25.9 1.0 OE2 A:GLU37 2.3 24.2 1.0 OE1 A:GLU256 2.4 21.8 1.0 CD A:GLU256 2.7 21.1 1.0 O A:HOH572 2.7 27.9 1.0 CE1 A:HIS38 3.2 16.5 1.0 CD A:GLU37 3.2 38.9 1.0 CD2 A:HIS38 3.2 16.1 1.0 CO A:CO307 3.4 19.9 1.0 CG A:GLU37 3.7 44.9 1.0 CG A:GLU256 4.2 18.8 1.0 ND1 A:HIS38 4.3 18.9 1.0 OE1 A:GLU37 4.3 30.4 1.0 CG A:HIS38 4.4 17.4 1.0 O A:HOH612 4.6 41.6 1.0 CB A:GLU37 4.6 36.8 1.0 O A:HOH613 4.7 33.5 1.0 ND1 A:HIS34 4.9 26.0 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