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

Enzymatic activity of Oxa-48 in Complex with Fpi-1602

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

Protein crystallography data

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

Other elements in 5fat:

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

Cobalt (Co) 8 atoms
Chlorine (Cl) 1 atom

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Oxa-48 in Complex with Fpi-1602 (pdb code 5fat). 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-1602, PDB code: 5fat:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in 5fat

Go back to Cadmium Binding Sites List in 5fat
Cadmium binding site 1 out of 2 in the Oxa-48 in Complex with Fpi-1602


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-1602 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd303

b:20.6
occ:0.70
O A:HOH415 1.8 22.5 1.0
O A:HOH432 1.9 34.4 1.0
OD2 A:ASP143 2.1 26.0 1.0
OD1 A:ASP143 2.4 29.1 1.0
CG A:ASP143 2.6 29.5 1.0
O A:HOH549 4.1 44.7 1.0
CB A:ASP143 4.1 28.4 1.0
O A:HIS140 4.6 28.9 1.0
O A:ALA141 4.6 29.4 1.0
CA A:ASP143 5.0 25.8 1.0

Cadmium binding site 2 out of 2 in 5fat

Go back to Cadmium Binding Sites List in 5fat
Cadmium binding site 2 out of 2 in the Oxa-48 in Complex with Fpi-1602


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-1602 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd305

b:29.2
occ:1.00
NE2 A:HIS38 2.2 25.2 1.0
OE1 A:GLU256 2.2 34.0 1.0
OE2 A:GLU37 2.3 33.3 1.0
O A:HOH449 2.4 36.2 1.0
OE2 A:GLU256 2.5 29.0 1.0
CD A:GLU256 2.7 29.2 1.0
CE1 A:HIS38 3.1 24.5 1.0
CD A:GLU37 3.2 45.0 1.0
CD2 A:HIS38 3.2 26.5 1.0
CO A:CO304 3.4 26.9 1.0
CG A:GLU37 3.6 42.1 1.0
OE1 A:GLU37 4.2 39.9 1.0
ND1 A:HIS38 4.2 25.4 1.0
CG A:GLU256 4.2 28.0 1.0
CG A:HIS38 4.3 27.4 1.0
O A:HOH539 4.6 36.1 1.0
O A:HOH547 4.7 53.4 1.0
ND1 A:HIS34 4.8 33.1 1.0
O A:HIS34 4.9 41.6 1.0

Reference:

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
Page generated: Sat Dec 12 08:26:39 2020

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