Fluorine in PDB 7pkm: 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: 7pkm 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) 45.76 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 35.531, 66.81, 62.691, 90, 90.35, 90
R / Rfree (%) 17.9 / 23.9

Other elements in 7pkm:

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 7pkm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was 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: 7pkm:

Fluorine binding site 1 out of 1 in 7pkm

Go back to Fluorine Binding Sites List in 7pkm
Fluorine binding site 1 out of 1 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:34.7
occ:1.00
F33 A:6G8502 0.0 34.7 1.0
C31 A:6G8502 1.4 28.6 1.0
C32 A:6G8502 2.3 26.4 1.0
C30 A:6G8502 2.4 27.4 1.0
C28 A:6G8502 3.1 24.1 1.0
C26 A:6G8502 3.1 23.6 1.0
OG1 A:THR190 3.2 24.2 1.0
O10 A:6G8502 3.2 33.5 1.0
O A:HOH608 3.2 41.3 1.0
O27 A:6G8502 3.3 21.2 1.0
N29 A:6G8502 3.3 25.5 1.0
C9 A:6G8502 3.4 31.6 1.0
C25 A:6G8502 3.4 34.8 1.0
N8 A:6G8502 3.6 28.3 1.0
CD2 A:LEU18 3.7 29.2 1.0
N1 A:6G8502 3.7 22.6 1.0
C7 A:6G8502 3.8 26.9 1.0
C11 A:6G8502 4.1 35.2 1.0
C16 A:6G8502 4.2 32.9 1.0
C3 A:6G8502 4.2 24.2 1.0
CB A:THR190 4.3 23.1 1.0
O A:MET62 4.5 38.4 1.0
C2 A:6G8502 4.6 23.6 1.0
ZN A:ZN501 4.6 20.2 1.0
C4 A:6G8502 4.7 25.9 1.0
CG2 A:THR190 4.7 23.4 1.0
O A:HOH685 4.8 34.4 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: Wed Apr 5 00:33:17 2023

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