Cadmium in PDB 5faq: Oxa-48 in Complex with Fpi-1465

All present enzymatic activity of Oxa-48 in Complex with Fpi-1465:
3.5.2.6;

The structure of Oxa-48 in Complex with Fpi-1465, PDB code: 5faq 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)	43.64 / 1.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.760, 75.470, 106.970, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 21

The structure of Oxa-48 in Complex with Fpi-1465 also contains other interesting chemical elements:

Cobalt	(Co)	6 atoms
Chlorine	(Cl)	1 atom

The binding sites of Cadmium atom in the Oxa-48 in Complex with Fpi-1465 (pdb code 5faq). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 3 binding sites of Cadmium where determined in the Oxa-48 in Complex with Fpi-1465, PDB code: 5faq:
Jump to Cadmium binding site number: 1; 2; 3;

Cadmium binding site 1 out of 3 in the Oxa-48 in Complex with Fpi-1465


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-1465 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd301 b:18.6 occ:0.90 OE2 A:GLU125 2.4 18.4 1.0 OE1 A:GLU125 2.5 20.7 1.0 CD A:GLU125 2.7 20.8 1.0 CD A:CD304 3.4 25.2 0.8 CG A:GLU125 4.3 19.9 1.0 NH2 A:ARG128 4.4 19.7 1.0 CD A:ARG128 4.8 17.7 1.0 O A:HOH416 4.9 39.6 1.0 O A:HOH517 4.9 34.2 1.0

Cadmium binding site 2 out of 3 in the Oxa-48 in Complex with Fpi-1465


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-1465 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd303 b:21.1 occ:1.00 O A:HOH555 2.1 20.6 1.0 OD2 A:ASP143 2.3 20.1 1.0 O A:HOH586 2.4 21.4 1.0 OD1 A:ASP143 2.4 18.2 1.0 CG A:ASP143 2.7 20.7 1.0 CB A:ASP143 4.2 19.0 1.0 O A:HOH519 4.2 35.9 1.0 O A:HOH453 4.2 23.2 1.0 O A:HOH480 4.3 22.3 1.0 O A:HIS140 4.5 20.2 1.0 O A:ALA141 4.6 19.7 1.0

Cadmium binding site 3 out of 3 in the Oxa-48 in Complex with Fpi-1465


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Oxa-48 in Complex with Fpi-1465 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd304 b:25.2 occ:0.80 CD A:CD301 3.4 18.6 0.9 OE1 A:GLU125 4.6 20.7 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