Fluorine in PDB 2pl1: Berrylium Fluoride Activated Receiver Domain of E.Coli Phop

The structure of Berrylium Fluoride Activated Receiver Domain of E.Coli Phop, PDB code: 2pl1 was solved by P.Bachhawat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.90
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	103.125, 103.125, 31.014, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 22.6

The structure of Berrylium Fluoride Activated Receiver Domain of E.Coli Phop also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Platinum	(Pt)	3 atoms

The binding sites of Fluorine atom in the Berrylium Fluoride Activated Receiver Domain of E.Coli Phop (pdb code 2pl1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Berrylium Fluoride Activated Receiver Domain of E.Coli Phop, PDB code: 2pl1:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Berrylium Fluoride Activated Receiver Domain of E.Coli Phop


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Berrylium Fluoride Activated Receiver Domain of E.Coli Phop within 5.0Å range: probe atom residue distance (Å) B Occ A:F205 b:21.0 occ:1.00 F1 A:BEF205 0.0 21.0 1.0 BE A:BEF205 1.5 20.8 1.0 MG A:MG204 2.4 26.1 1.0 F2 A:BEF205 2.4 19.3 1.0 F3 A:BEF205 2.4 17.6 1.0 O A:HOH247 2.9 50.1 1.0 OD1 A:ASP51 3.0 19.1 1.0 O A:HOH291 3.1 16.0 1.0 N A:GLY53 3.2 17.2 1.0 O A:HOH292 3.2 16.2 1.0 OD2 A:ASP51 3.3 19.8 1.0 CA A:GLY53 3.3 18.7 1.0 O A:GLY53 3.3 17.9 1.0 CG A:ASP51 3.5 21.1 1.0 O A:HOH294 3.6 35.8 1.0 C A:GLY53 3.7 18.6 1.0 NZ A:LYS101 4.4 16.3 1.0 C A:LEU52 4.5 18.3 1.0 OD1 A:ASP8 4.6 21.1 1.0 N A:LEU52 4.6 16.9 1.0 O A:HOH300 4.7 71.5 1.0 O A:HOH267 4.7 29.7 1.0 OG1 A:THR79 4.8 16.1 1.0 N A:ALA80 4.9 17.8 1.0 CB A:ASP51 4.9 19.3 1.0

Fluorine binding site 2 out of 3 in the Berrylium Fluoride Activated Receiver Domain of E.Coli Phop


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Berrylium Fluoride Activated Receiver Domain of E.Coli Phop within 5.0Å range: probe atom residue distance (Å) B Occ A:F205 b:19.3 occ:1.00 F2 A:BEF205 0.0 19.3 1.0 BE A:BEF205 1.5 20.8 1.0 F1 A:BEF205 2.4 21.0 1.0 F3 A:BEF205 2.5 17.6 1.0 OG1 A:THR79 2.5 16.1 1.0 OD1 A:ASP51 2.7 19.1 1.0 N A:GLY53 2.9 17.2 1.0 CB A:THR79 3.3 17.0 1.0 N A:LEU52 3.3 16.9 1.0 N A:ALA80 3.6 17.8 1.0 CB A:LEU52 3.6 16.5 1.0 CA A:LEU52 3.7 16.7 1.0 CA A:THR79 3.7 18.0 1.0 C A:LEU52 3.7 18.3 1.0 CG A:ASP51 3.8 21.1 1.0 CA A:GLY53 3.8 18.7 1.0 C A:THR79 4.1 17.2 1.0 OD2 A:ASP51 4.3 19.8 1.0 C A:ASP51 4.3 17.3 1.0 CG A:ARG81 4.4 24.9 1.0 CG A:LEU52 4.5 17.4 1.0 MG A:MG204 4.5 26.1 1.0 N A:ARG81 4.5 18.2 1.0 CA A:ALA80 4.6 17.7 1.0 O A:HOH247 4.6 50.1 1.0 CG2 A:THR79 4.7 16.6 1.0 CB A:ALA80 4.7 20.3 1.0 CA A:ASP51 4.7 17.4 1.0 O A:LEU78 4.8 15.7 1.0 C A:GLY53 4.8 18.6 1.0 O A:GLY53 4.8 17.9 1.0 CB A:ASP51 4.9 19.3 1.0 O A:LEU52 4.9 17.3 1.0 O A:HOH294 4.9 35.8 1.0 N A:THR79 4.9 18.0 1.0 NZ A:LYS101 5.0 16.3 1.0

Fluorine binding site 3 out of 3 in the Berrylium Fluoride Activated Receiver Domain of E.Coli Phop


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Berrylium Fluoride Activated Receiver Domain of E.Coli Phop within 5.0Å range: probe atom residue distance (Å) B Occ A:F205 b:17.6 occ:1.00 F3 A:BEF205 0.0 17.6 1.0 BE A:BEF205 1.5 20.8 1.0 F1 A:BEF205 2.4 21.0 1.0 F2 A:BEF205 2.5 19.3 1.0 OD1 A:ASP51 2.8 19.1 1.0 NZ A:LYS101 2.9 16.3 1.0 N A:ALA80 2.9 17.8 1.0 O A:HOH294 3.0 35.8 1.0 CE A:LYS101 3.4 18.1 1.0 CB A:ALA80 3.5 20.3 1.0 O A:HOH292 3.5 16.2 1.0 CA A:THR79 3.6 18.0 1.0 CD A:LYS101 3.6 18.9 1.0 C A:THR79 3.7 17.2 1.0 OG1 A:THR79 3.8 16.1 1.0 CA A:ALA80 3.8 17.7 1.0 CG A:ASP51 3.8 21.1 1.0 MG A:MG204 4.1 26.1 1.0 OD2 A:ASP51 4.2 19.8 1.0 CB A:THR79 4.2 17.0 1.0 O A:LEU78 4.5 15.7 1.0 O A:HOH247 4.6 50.1 1.0 O A:HOH230 4.7 22.8 1.0 CG A:LYS101 4.7 17.4 1.0 N A:THR79 4.8 18.0 1.0 O A:THR79 4.8 18.1 1.0 N A:GLY53 4.9 17.2 1.0 OE1 A:GLU7 4.9 17.8 1.0 C A:ALA80 4.9 19.2 1.0 O A:HOH267 4.9 29.7 1.0 N A:ARG81 5.0 18.2 1.0

P.Bachhawat, A.M.Stock. Crystal Structures of the Receiver Domain of the Response Regulator Phop From Escherichia Coli in the Absence and Presence of the Phosphoryl Analog Beryllofluoride. J.Bacteriol. V. 189 5987 2007.
ISSN: ISSN 0021-9193
PubMed: 17545283
DOI: 10.1128/JB.00049-07