Fluorine in PDB 7pzu: Lpxc Inhibitors with Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic with Activity Against Multidrug- Resistant Gram-Negative Bacteria

Enzymatic activity of Lpxc Inhibitors with Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic with Activity Against Multidrug- Resistant Gram-Negative Bacteria

All present enzymatic activity of Lpxc Inhibitors with Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic with Activity Against Multidrug- Resistant Gram-Negative Bacteria:
3.5.1.108;

Protein crystallography data

The structure of Lpxc Inhibitors with Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic with Activity Against Multidrug- Resistant Gram-Negative Bacteria, PDB code: 7pzu was solved by M.D.Ryan, T.D.Pallin, M.B.A.C.Lamers, P.M.Leonard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 63.00 / 2.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 35.9, 67.04, 63, 90, 90.21, 90
R / Rfree (%) 18.9 / 23.3

Other elements in 7pzu:

The structure of Lpxc Inhibitors with Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic with Activity Against Multidrug- Resistant Gram-Negative Bacteria also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Lpxc Inhibitors with Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic with Activity Against Multidrug- Resistant Gram-Negative Bacteria (pdb code 7pzu). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Lpxc Inhibitors with Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic with Activity Against Multidrug- Resistant Gram-Negative Bacteria, PDB code: 7pzu:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 7pzu

Go back to Fluorine Binding Sites List in 7pzu
Fluorine binding site 1 out of 2 in the Lpxc Inhibitors with Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic with Activity Against Multidrug- Resistant Gram-Negative Bacteria


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Lpxc Inhibitors with Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic with Activity Against Multidrug- Resistant Gram-Negative Bacteria within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:57.5
occ:1.00
 F1 A:99I502 0.0 57.5 1.0
C15 A:99I502 1.3 42.1 1.0
C16 A:99I502 2.4 42.7 1.0
C14 A:99I502 2.5 38.6 1.0
C34 A:99I502 2.9 39.9 1.0
CB A:ALA206 2.9 39.9 1.0
C35 A:99I502 3.4 39.4 1.0
CD1 A:LEU200 3.6 42.0 1.0
CG1 A:ILE197 3.6 50.4 1.0
C11 A:99I502 3.6 41.5 1.0
C13 A:99I502 3.7 38.7 1.0
CA A:ALA206 4.0 40.7 1.0
CA A:ILE197 4.1 49.8 1.0
C12 A:99I502 4.1 38.9 1.0
CB A:ILE197 4.2 49.2 1.0
C36 A:99I502 4.4 38.6 1.0
CG2 A:ILE197 4.4 47.8 1.0
CB A:LEU200 4.4 44.0 1.0
C37 A:99I502 4.5 40.7 1.0
CD1 A:ILE197 4.6 48.1 1.0
CG A:LEU200 4.6 43.1 1.0
C9 A:99I502 4.8 40.9 1.0
CE1 A:HIS19 4.9 40.3 1.0
N A:ILE197 4.9 47.2 1.0
N A:ALA206 4.9 42.9 1.0
O A:ILE197 4.9 47.8 1.0
O A:HOH684 5.0 43.7 1.0

Fluorine binding site 2 out of 2 in 7pzu

Go back to Fluorine Binding Sites List in 7pzu
Fluorine binding site 2 out of 2 in the Lpxc Inhibitors with Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic with Activity Against Multidrug- Resistant Gram-Negative Bacteria


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Lpxc Inhibitors with Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic with Activity Against Multidrug- Resistant Gram-Negative Bacteria within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:41.3
occ:1.00
 F33 A:99I502 0.0 41.3 1.0
C31 A:99I502 1.4 37.0 1.0
C32 A:99I502 2.4 35.7 1.0
C30 A:99I502 2.4 34.5 1.0
OG1 A:THR190 2.9 34.6 1.0
C28 A:99I502 3.1 33.9 1.0
C26 A:99I502 3.2 32.0 1.0
N29 A:99I502 3.3 34.2 1.0
O27 A:99I502 3.3 29.3 1.0
O A:HOH615 3.4 40.9 1.0
O10 A:99I502 3.5 49.7 1.0
C9 A:99I502 3.5 40.9 1.0
CD2 A:LEU18 3.7 31.2 1.0
N8 A:99I502 3.8 40.4 1.0
N1 A:99I502 3.9 30.8 1.0
CB A:THR190 3.9 32.6 1.0
C7 A:99I502 4.1 37.8 1.0
C11 A:99I502 4.1 41.5 1.0
C12 A:99I502 4.2 38.9 1.0
C3 A:99I502 4.3 36.0 1.0
CG2 A:THR190 4.3 31.6 1.0
ZN A:ZN501 4.4 27.7 1.0
C2 A:99I502 4.7 34.0 1.0
C4 A:99I502 4.9 36.7 1.0
O A:MET62 4.9 39.2 1.0

Reference:

M.D.Ryan, T.D.Pallin, T.Mullins, T.Blench, I.Fraser, J.Dallow, N.Ahmed, C.Ellwood, S.Gaines, J.Flores, Y.Blackwell, C.T.Garcia, G.Spence, A.Reeve, T.Panchal, B.Dominguez-Fernandez, P.M.Leonard, M.B.A.C.Lamers, A.Arduin, C.Fotinou, E.Gancia, D.E.Clark, E.Bush, J.Betts, C.Richards, T.Rea-Davies, A.D.Keefe, Y.Zhang, H.T.Soutter, P.A.Centrella, M.A.Clark, J.W.Cuozzo, C.E.Dumelin, S.Habeshian, A.Hunt, E.A.Sigel, D.M.Troast, B.L.M.Dejonge. Lpxc Inhibitors with Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic with Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published.
Page generated: Fri Aug 2 11:13:05 2024

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