Fluorine in PDB 5he9: Bacterial Initiation Protein in Complex with Phage Inhibitor Protein

The structure of Bacterial Initiation Protein in Complex with Phage Inhibitor Protein, PDB code: 5he9 was solved by I.V.Hood, J.M.Berger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.76 / 1.90
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	73.173, 73.173, 189.727, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 21.8

The structure of Bacterial Initiation Protein in Complex with Phage Inhibitor Protein also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Bacterial Initiation Protein in Complex with Phage Inhibitor Protein (pdb code 5he9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Bacterial Initiation Protein in Complex with Phage Inhibitor Protein, PDB code: 5he9:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Bacterial Initiation Protein in Complex with Phage Inhibitor Protein


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Bacterial Initiation Protein in Complex with Phage Inhibitor Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:24.3 occ:1.00 F1 A:BEF402 0.0 24.3 1.0 BE A:BEF402 1.5 26.6 1.0 HZ1 E:LYS39 2.2 39.1 1.0 HD2 A:PHE166 2.5 22.3 1.0 F3 A:BEF402 2.6 21.9 1.0 O3B A:ADP401 2.6 23.0 1.0 F2 A:BEF402 2.7 22.8 1.0 HD3 E:LYS39 2.9 30.0 1.0 H A:GLY167 2.9 28.1 1.0 NZ E:LYS39 3.0 32.6 1.0 HA A:PHE166 3.0 24.8 1.0 HB3 A:PHE166 3.0 29.7 1.0 HZ3 E:LYS39 3.1 39.1 1.0 CD2 A:PHE166 3.3 18.6 1.0 O E:HOH108 3.5 19.2 1.0 N A:GLY167 3.6 23.4 1.0 HZ2 E:LYS39 3.6 39.1 1.0 CD E:LYS39 3.6 25.0 1.0 CB A:PHE166 3.6 24.8 1.0 CA A:PHE166 3.7 20.6 1.0 CE E:LYS39 3.8 29.1 1.0 HD21 A:ASN260 3.8 26.1 1.0 HD2 E:LYS39 3.8 30.0 1.0 CG A:PHE166 3.9 24.8 1.0 HE2 E:LYS39 4.0 35.0 1.0 PB A:ADP401 4.1 24.2 1.0 C A:PHE166 4.1 23.8 1.0 HZ2 A:LYS170 4.2 24.7 1.0 HA2 A:GLY167 4.3 31.0 1.0 CE2 A:PHE166 4.4 23.0 1.0 MG A:MG403 4.4 20.0 1.0 HE2 A:PHE166 4.4 27.6 1.0 O2B A:ADP401 4.5 21.5 1.0 HB2 A:PHE166 4.5 29.7 1.0 CA A:GLY167 4.5 25.9 1.0 ND2 A:ASN260 4.6 21.7 1.0 HE3 E:LYS39 4.6 35.0 1.0 O A:HOH514 4.6 16.2 1.0 O3A A:ADP401 4.7 23.0 1.0 HH E:TYR17 4.8 24.0 1.0 O E:HOH141 4.8 46.5 1.0 HD11 E:LEU35 4.8 45.1 1.0 O A:HOH565 4.8 17.5 1.0 OD1 A:ASN260 4.9 24.3 1.0 CG E:LYS39 4.9 21.3 1.0 OE1 E:GLU42 4.9 25.3 1.0 HA3 A:GLY167 4.9 31.0 1.0 N A:PHE166 4.9 24.7 1.0 O1B A:ADP401 5.0 24.6 1.0 HG3 E:LYS39 5.0 25.5 1.0

Fluorine binding site 2 out of 3 in the Bacterial Initiation Protein in Complex with Phage Inhibitor Protein


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Bacterial Initiation Protein in Complex with Phage Inhibitor Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:22.8 occ:1.00 F2 A:BEF402 0.0 22.8 1.0 BE A:BEF402 1.6 26.6 1.0 MG A:MG403 1.9 20.0 1.0 HZ1 E:LYS39 2.5 39.1 1.0 F3 A:BEF402 2.6 21.9 1.0 F1 A:BEF402 2.7 24.3 1.0 O A:HOH576 2.7 12.2 1.0 O3B A:ADP401 2.7 23.0 1.0 O E:HOH116 2.9 18.1 1.0 O2B A:ADP401 2.9 21.5 1.0 HZ2 E:LYS39 3.0 39.1 1.0 NZ E:LYS39 3.1 32.6 1.0 O A:HOH514 3.1 16.2 1.0 HZ3 E:LYS39 3.2 39.1 1.0 O A:HOH565 3.3 17.5 1.0 PB A:ADP401 3.4 24.2 1.0 O E:HOH108 3.5 19.2 1.0 OD2 A:ASP226 3.5 20.8 1.0 HZ2 A:LYS170 4.0 24.7 1.0 CG A:ASP226 4.0 21.9 1.0 OG A:SER171 4.1 17.5 1.0 OD1 A:ASP226 4.2 20.9 1.0 HE2 A:LYS170 4.2 21.5 1.0 OE1 E:GLU42 4.3 25.3 1.0 H A:GLY167 4.3 28.1 1.0 O1B A:ADP401 4.4 24.6 1.0 CE E:LYS39 4.5 29.1 1.0 HD2 A:PHE166 4.5 22.3 1.0 O3A A:ADP401 4.5 23.0 1.0 HD21 A:ASN260 4.5 26.1 1.0 HZ1 A:LYS170 4.6 24.7 1.0 NZ A:LYS170 4.6 20.6 1.0 HE2 E:LYS39 4.7 35.0 1.0 HB2 A:ASP226 4.7 20.5 1.0 HA A:PHE166 4.7 24.8 1.0 HD3 E:LYS39 4.7 30.0 1.0 OE2 E:GLU42 4.8 27.1 1.0 H A:SER171 4.8 25.2 1.0 O2A A:ADP401 4.8 27.5 1.0 CE A:LYS170 4.9 17.9 1.0 HB2 A:LYS170 4.9 22.0 1.0 HB2 A:SER171 4.9 22.5 1.0 OD1 A:ASN260 4.9 24.3 1.0 CB A:ASP226 5.0 17.1 1.0 CD E:GLU42 5.0 23.7 1.0

Fluorine binding site 3 out of 3 in the Bacterial Initiation Protein in Complex with Phage Inhibitor Protein


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Bacterial Initiation Protein in Complex with Phage Inhibitor Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:21.9 occ:1.00 F3 A:BEF402 0.0 21.9 1.0 BE A:BEF402 1.5 26.6 1.0 HZ2 A:LYS170 1.9 24.7 1.0 HD21 A:ASN260 2.2 26.1 1.0 HA A:PHE166 2.6 24.8 1.0 F1 A:BEF402 2.6 24.3 1.0 F2 A:BEF402 2.6 22.8 1.0 O3B A:ADP401 2.6 23.0 1.0 NZ A:LYS170 2.8 20.6 1.0 O A:HOH565 2.8 17.5 1.0 ND2 A:ASN260 2.9 21.7 1.0 HZ1 A:LYS170 3.1 24.7 1.0 H A:GLY167 3.2 28.1 1.0 HZ3 A:LYS170 3.3 24.7 1.0 HE2 A:LYS170 3.3 21.5 1.0 HD22 A:ASN260 3.4 26.1 1.0 HD2 A:PHE166 3.4 22.3 1.0 CE A:LYS170 3.5 17.9 1.0 HE3 A:LYS170 3.5 21.5 1.0 CA A:PHE166 3.5 20.6 1.0 O E:HOH108 3.6 19.2 1.0 CG A:ASN260 3.6 24.9 1.0 PB A:ADP401 3.6 24.2 1.0 OD1 A:ASN260 3.6 24.3 1.0 HZ1 E:LYS39 3.8 39.1 1.0 O1B A:ADP401 3.8 24.6 1.0 CD2 A:PHE166 3.9 18.6 1.0 N A:GLY167 3.9 23.4 1.0 O2B A:ADP401 3.9 21.5 1.0 O A:HOH576 4.0 12.2 1.0 O A:PRO165 4.0 22.4 1.0 MG A:MG403 4.1 20.0 1.0 N A:PHE166 4.2 24.7 1.0 HB3 A:PHE166 4.2 29.7 1.0 C A:PHE166 4.3 23.8 1.0 CB A:PHE166 4.3 24.8 1.0 CG A:PHE166 4.4 24.8 1.0 C A:PRO165 4.4 24.5 1.0 O A:GLY164 4.5 23.9 1.0 NZ E:LYS39 4.6 32.6 1.0 CE2 A:PHE166 4.6 23.0 1.0 HE2 A:PHE166 4.7 27.6 1.0 H A:THR168 4.8 26.7 1.0 HB2 A:LYS170 4.8 22.0 1.0 HZ2 E:LYS39 4.8 39.1 1.0 H A:PHE166 4.8 29.6 1.0 HA A:ASN260 4.8 21.7 1.0 OD1 A:ASP226 4.9 20.9 1.0 O3A A:ADP401 4.9 23.0 1.0 CD A:LYS170 4.9 21.8 1.0 CB A:ASN260 5.0 18.3 1.0 HZ3 E:LYS39 5.0 39.1 1.0

I.V.Hood, J.M.Berger. Structure of Inhibited Replicative Helicase Loader From Staphylococcus Aureus at 1.9 Angstrom Resolution To Be Published.