Fluorine in PDB 6jew: K3U Bound Crystal Peptide Deformylase From Acinetobacter Baumanii

All present enzymatic activity of K3U Bound Crystal Peptide Deformylase From Acinetobacter Baumanii:
3.5.1.88;

The structure of K3U Bound Crystal Peptide Deformylase From Acinetobacter Baumanii, PDB code: 6jew was solved by I.H.Lee, T.H.Ho, L.W.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.99 / 2.00
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	39.493, 39.493, 187.119, 90.00, 90.00, 120.00
R / Rfree (%)	22.6 / 29.2

The structure of K3U Bound Crystal Peptide Deformylase From Acinetobacter Baumanii also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Fluorine atom in the K3U Bound Crystal Peptide Deformylase From Acinetobacter Baumanii (pdb code 6jew). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the K3U Bound Crystal Peptide Deformylase From Acinetobacter Baumanii, PDB code: 6jew:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the K3U Bound Crystal Peptide Deformylase From Acinetobacter Baumanii


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of K3U Bound Crystal Peptide Deformylase From Acinetobacter Baumanii within 5.0Å range: probe atom residue distance (Å) B Occ B:F202 b:56.9 occ:1.00 F1 B:K3U202 0.0 56.9 1.0 C12 B:K3U202 1.3 53.1 1.0 F2 B:K3U202 1.8 56.1 1.0 N B:LEU93 2.2 28.7 1.0 F B:K3U202 2.3 39.4 1.0 C11 B:K3U202 2.3 61.6 1.0 CA B:CYS92 3.0 34.7 1.0 C B:CYS92 3.0 35.7 1.0 NE2 B:GLN51 3.0 27.6 1.0 ZN B:ZN201 3.1 30.6 1.0 SG B:CYS92 3.1 32.8 1.0 C3 B:K3U202 3.2 60.7 1.0 CA B:LEU93 3.2 29.9 1.0 CB B:LEU93 3.3 27.9 1.0 CG B:LEU93 3.6 32.2 1.0 CB B:CYS92 3.6 31.4 1.0 N B:SER94 3.7 26.9 1.0 CD B:GLN51 3.9 33.2 1.0 OE1 B:GLN51 3.9 26.7 1.0 C B:LEU93 4.0 25.1 1.0 C2 B:K3U202 4.0 66.5 1.0 O B:GLY46 4.0 29.3 1.0 O B:CYS92 4.1 36.7 1.0 N B:CYS92 4.2 37.8 1.0 C4 B:K3U202 4.4 63.0 1.0 CD1 B:LEU93 4.4 32.6 1.0 NE2 B:HIS134 4.5 30.6 1.0 NE2 B:HIS138 4.6 30.6 1.0 O1 B:K3U202 4.6 76.0 1.0 CD2 B:LEU93 4.7 35.5 1.0 S B:K3U202 4.7 82.2 1.0 OE2 B:GLU135 4.7 39.0 1.0 O B:GLY91 4.8 37.9 1.0 CD1 B:LEU47 4.9 28.8 1.0 C B:GLY91 5.0 46.0 1.0

Fluorine binding site 2 out of 3 in the K3U Bound Crystal Peptide Deformylase From Acinetobacter Baumanii


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of K3U Bound Crystal Peptide Deformylase From Acinetobacter Baumanii within 5.0Å range: probe atom residue distance (Å) B Occ B:F202 b:39.4 occ:1.00 F B:K3U202 0.0 39.4 1.0 C12 B:K3U202 1.4 53.1 1.0 ZN B:ZN201 2.1 30.6 1.0 F1 B:K3U202 2.3 56.9 1.0 F2 B:K3U202 2.3 56.1 1.0 C11 B:K3U202 2.5 61.6 1.0 OE2 B:GLU135 2.7 39.0 1.0 OE1 B:GLN51 2.8 26.7 1.0 NE2 B:HIS138 3.2 30.6 1.0 NE2 B:GLN51 3.3 27.6 1.0 NE2 B:HIS134 3.3 30.6 1.0 OE1 B:GLU135 3.4 33.6 1.0 CD B:GLN51 3.4 33.2 1.0 CD B:GLU135 3.4 33.5 1.0 C3 B:K3U202 3.5 60.7 1.0 CD2 B:HIS134 3.6 30.1 1.0 SG B:CYS92 3.7 32.8 1.0 CD2 B:HIS138 3.7 27.1 1.0 O B:GLY46 3.7 29.3 1.0 C4 B:K3U202 3.9 63.0 1.0 C B:GLY46 4.2 28.2 1.0 CE1 B:HIS138 4.2 30.5 1.0 CA B:CYS92 4.4 34.7 1.0 CA B:LEU47 4.4 27.6 1.0 N B:LEU93 4.5 28.7 1.0 CB B:CYS92 4.5 31.4 1.0 CE1 B:HIS134 4.6 35.9 1.0 N B:LEU47 4.7 27.5 1.0 C2 B:K3U202 4.8 66.5 1.0 CG B:GLN51 4.8 29.4 1.0 CG B:HIS138 4.9 27.9 1.0 CG B:GLU135 4.9 29.5 1.0 N B:ALA48 4.9 24.1 1.0 CG B:HIS134 4.9 31.2 1.0 C B:CYS92 5.0 35.7 1.0

Fluorine binding site 3 out of 3 in the K3U Bound Crystal Peptide Deformylase From Acinetobacter Baumanii


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of K3U Bound Crystal Peptide Deformylase From Acinetobacter Baumanii within 5.0Å range: probe atom residue distance (Å) B Occ B:F202 b:56.1 occ:1.00 F2 B:K3U202 0.0 56.1 1.0 C12 B:K3U202 1.3 53.1 1.0 F1 B:K3U202 1.8 56.9 1.0 C11 B:K3U202 2.2 61.6 1.0 F B:K3U202 2.3 39.4 1.0 O B:GLY46 2.6 29.3 1.0 NE2 B:GLN51 2.9 27.6 1.0 OE1 B:GLN51 3.1 26.7 1.0 CD B:GLN51 3.4 33.2 1.0 CB B:LEU93 3.4 27.9 1.0 CG B:LEU93 3.4 32.2 1.0 CD1 B:LEU47 3.4 28.8 1.0 N B:LEU93 3.6 28.7 1.0 CD1 B:LEU93 3.6 32.6 1.0 C B:GLY46 3.6 28.2 1.0 C3 B:K3U202 3.7 60.7 1.0 CA B:LEU47 3.8 27.6 1.0 ZN B:ZN201 4.0 30.6 1.0 CA B:LEU93 4.0 29.9 1.0 CB B:LEU47 4.1 27.9 1.0 N B:LEU47 4.2 27.5 1.0 OE2 B:GLU135 4.3 39.0 1.0 C2 B:K3U202 4.3 66.5 1.0 CG B:LEU47 4.4 28.8 1.0 O1 B:K3U202 4.6 76.0 1.0 SG B:CYS92 4.6 32.8 1.0 C B:CYS92 4.6 35.7 1.0 C4 B:K3U202 4.7 63.0 1.0 CA B:CYS92 4.7 34.7 1.0 N B:SER94 4.7 26.9 1.0 C B:LEU93 4.8 25.1 1.0 CA B:GLY46 4.8 30.4 1.0 OE1 B:GLU135 4.8 33.6 1.0 CD2 B:LEU93 4.8 35.5 1.0 CG B:GLN51 4.8 29.4 1.0 CD B:GLU135 5.0 33.5 1.0 C B:LEU47 5.0 27.5 1.0

I.H.Lee, T.H.Ho, L.W.Kang. K3U Bound Crystal Peptide Deformylase From Acinetobacter Baumanii To Be Published.