Fluorine in PDB 6zii: Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3-

The structure of Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3-, PDB code: 6zii was solved by J.Huesa, A.Marina, P.Casino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.71 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.144, 64.4, 47.131, 90, 100.14, 90
R / Rfree (%)	22.2 / 27.8

The structure of Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3- also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3- (pdb code 6zii). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3-, PDB code: 6zii:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3- within 5.0Å range: probe atom residue distance (Å) B Occ B:F56 b:41.5 occ:1.00 F1 B:BFD56 0.0 41.5 1.0 BE B:BFD56 1.5 41.5 1.0 MG B:MG301 2.5 37.1 1.0 F2 B:BFD56 2.5 40.9 1.0 OD1 B:BFD56 2.6 29.2 1.0 F3 B:BFD56 2.6 41.1 1.0 OD2 B:BFD56 2.9 27.0 1.0 CG B:BFD56 3.1 27.9 1.0 O B:SER58 3.4 33.2 1.0 CB B:SER58 3.4 33.5 1.0 O B:HOH409 3.7 32.4 1.0 N B:SER58 3.7 32.3 1.0 CA B:SER58 3.9 33.0 1.0 O B:HOH401 4.1 55.6 1.0 OG B:SER58 4.1 34.5 1.0 C B:SER58 4.1 32.7 1.0 NZ B:LYS109 4.1 29.8 1.0 OD1 B:ASP11 4.6 30.1 1.0 CB B:BFD56 4.6 27.9 1.0 N B:LEU57 4.6 28.7 1.0 CG B:MET88 4.7 36.5 1.0 SD B:MET88 4.8 41.5 1.0 C B:LEU57 4.9 31.3 1.0

Fluorine binding site 2 out of 6 in the Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3- within 5.0Å range: probe atom residue distance (Å) B Occ B:F56 b:40.9 occ:1.00 F2 B:BFD56 0.0 40.9 1.0 BE B:BFD56 1.5 41.5 1.0 F3 B:BFD56 2.4 41.1 1.0 F1 B:BFD56 2.5 41.5 1.0 OG1 B:THR87 2.8 33.1 1.0 N B:MET88 3.4 33.5 1.0 OD1 B:BFD56 3.4 29.2 1.0 CA B:THR87 3.7 32.7 1.0 CB B:THR87 3.7 32.9 1.0 CG B:MET88 3.8 36.5 1.0 OG B:SER58 3.9 34.5 1.0 N B:SER58 3.9 32.3 1.0 CB B:LEU57 4.1 30.8 1.0 CB B:SER58 4.1 33.5 1.0 C B:THR87 4.1 32.3 1.0 N B:ASN89 4.2 35.9 1.0 CA B:MET88 4.4 34.4 1.0 N B:LEU57 4.4 28.7 1.0 CB B:MET88 4.5 35.0 1.0 CG B:BFD56 4.5 27.9 1.0 CA B:SER58 4.6 33.0 1.0 C B:MET88 4.7 34.9 1.0 CA B:LEU57 4.7 30.3 1.0 C B:LEU57 4.7 31.3 1.0 CB B:ASN89 4.8 37.2 1.0 SD B:MET88 4.8 41.5 1.0 MG B:MG301 4.9 37.1 1.0 OD2 B:BFD56 4.9 27.0 1.0

Fluorine binding site 3 out of 6 in the Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3- within 5.0Å range: probe atom residue distance (Å) B Occ B:F56 b:41.1 occ:1.00 F3 B:BFD56 0.0 41.1 1.0 BE B:BFD56 1.5 41.5 1.0 F2 B:BFD56 2.4 40.9 1.0 F1 B:BFD56 2.6 41.5 1.0 OD1 B:BFD56 2.9 29.2 1.0 NZ B:LYS109 2.9 29.8 1.0 N B:MET88 2.9 33.5 1.0 CE B:LYS109 3.2 29.6 1.0 CA B:THR87 3.3 32.7 1.0 C B:THR87 3.4 32.3 1.0 CD B:LYS109 3.4 29.0 1.0 CG B:MET88 3.7 36.5 1.0 CB B:MET88 3.8 35.0 1.0 O B:LEU86 3.8 34.1 1.0 CG B:BFD56 3.9 27.9 1.0 CA B:MET88 3.9 34.4 1.0 OG1 B:THR87 4.0 33.1 1.0 CB B:THR87 4.2 32.9 1.0 N B:THR87 4.2 33.0 1.0 CG B:LYS109 4.3 28.5 1.0 OD2 B:BFD56 4.3 27.0 1.0 SD B:MET88 4.4 41.5 1.0 C B:LEU86 4.4 32.5 1.0 O B:THR87 4.5 32.4 1.0 MG B:MG301 4.6 37.1 1.0 OD2 B:ASP10 4.8 37.2 1.0 C B:MET88 5.0 34.9 1.0

Fluorine binding site 4 out of 6 in the Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3- within 5.0Å range: probe atom residue distance (Å) B Occ A:F56 b:26.9 occ:1.00 F1 A:BFD56 0.0 26.9 1.0 BE A:BFD56 1.5 25.9 1.0 MG A:MG301 2.2 32.7 1.0 F2 A:BFD56 2.5 25.1 1.0 F3 A:BFD56 2.5 25.5 1.0 OD2 A:BFD56 2.9 31.1 1.0 O A:HOH403 3.0 30.0 1.0 O A:SER58 3.0 36.1 1.0 OD1 A:BFD56 3.1 34.7 1.0 CB A:SER58 3.3 35.0 1.0 CG A:BFD56 3.3 32.9 1.0 N A:SER58 3.7 35.0 1.0 CA A:SER58 3.8 35.6 1.0 C A:SER58 3.8 36.0 1.0 OG A:SER58 4.2 34.6 1.0 OD1 A:ASP11 4.3 31.3 1.0 NZ A:LYS109 4.8 28.6 1.0 CB A:BFD56 4.8 32.9 1.0 N A:LEU57 4.8 33.6 1.0 C A:LEU57 4.9 34.4 1.0

Fluorine binding site 5 out of 6 in the Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3- within 5.0Å range: probe atom residue distance (Å) B Occ A:F56 b:25.1 occ:1.00 F2 A:BFD56 0.0 25.1 1.0 BE A:BFD56 1.5 25.9 1.0 F3 A:BFD56 2.5 25.5 1.0 F1 A:BFD56 2.5 26.9 1.0 OD1 A:BFD56 2.7 34.7 1.0 OG1 A:THR87 2.9 28.1 1.0 N A:SER58 3.2 35.0 1.0 N A:LEU57 3.4 33.6 1.0 CB A:LEU57 3.5 34.4 1.0 CB A:THR87 3.6 27.6 1.0 CG A:BFD56 3.6 32.9 1.0 CA A:THR87 3.8 27.7 1.0 CA A:LEU57 3.8 34.3 1.0 CB A:SER58 3.9 35.0 1.0 C A:LEU57 4.0 34.4 1.0 OD2 A:BFD56 4.0 31.1 1.0 CA A:SER58 4.1 35.6 1.0 N A:MET88 4.2 27.8 1.0 MG A:MG301 4.4 32.7 1.0 O A:SER58 4.5 36.1 1.0 O A:LEU86 4.5 26.5 1.0 C A:BFD56 4.5 33.1 1.0 C A:THR87 4.5 28.0 1.0 C A:SER58 4.8 36.0 1.0 CB A:BFD56 4.8 32.9 1.0 CG A:LEU57 4.8 35.4 1.0 CA A:BFD56 4.8 33.0 1.0 O A:HOH403 4.9 30.0 1.0 N A:ASN89 4.9 27.1 1.0 N A:THR87 4.9 27.2 1.0 CG2 A:THR87 5.0 27.1 1.0

Fluorine binding site 6 out of 6 in the Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of the Isolated Rec Domain of Rcsb From Salmonella Enterica Serovar Typhimurium in the Presence of Phosphomimetic BEF3- within 5.0Å range: probe atom residue distance (Å) B Occ A:F56 b:25.5 occ:1.00 F3 A:BFD56 0.0 25.5 1.0 BE A:BFD56 1.5 25.9 1.0 F2 A:BFD56 2.5 25.1 1.0 F1 A:BFD56 2.5 26.9 1.0 OD1 A:BFD56 3.1 34.7 1.0 N A:MET88 3.2 27.8 1.0 NZ A:LYS109 3.3 28.6 1.0 CG A:MET88 3.5 28.8 1.0 CA A:THR87 3.8 27.7 1.0 CE A:LYS109 3.8 28.3 1.0 OG1 A:THR87 3.9 28.1 1.0 O A:HOH403 3.9 30.0 1.0 C A:THR87 3.9 28.0 1.0 CB A:MET88 4.0 28.1 1.0 CG A:BFD56 4.0 32.9 1.0 CD A:LYS109 4.1 28.3 1.0 CA A:MET88 4.2 27.6 1.0 OD2 A:BFD56 4.2 31.1 1.0 MG A:MG301 4.3 32.7 1.0 SD A:MET88 4.3 29.8 1.0 CB A:THR87 4.4 27.6 1.0 O A:HOH405 4.5 30.0 1.0 O A:LEU86 4.6 26.5 1.0 N A:ASN89 4.9 27.1 1.0 N A:THR87 4.9 27.2 1.0 C A:MET88 5.0 27.2 1.0

J.Huesa, J.Giner-Lamia, M.G.Pucciarelli, F.Paredes-Martinez, F.Garcia-Del Portillo, A.Marina, P.Casino. Structure-Based Analyses of Salmonella Rcsb Variants Unravel New Features of the Rcs Regulon Nucleic Acids Res. 2021.
ISSN: ESSN 1362-4962
DOI: 10.1093/NAR/GKAB060