Fluorine in PDB 8svz: Structure of the Francisella Response Regulator Kdpe Receiver Domain

The structure of Structure of the Francisella Response Regulator Kdpe Receiver Domain, PDB code: 8svz was solved by M.E.Milton, J.Cavanagh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.44 / 3.35
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	134.708, 134.708, 123.118, 90, 90, 120
R / Rfree (%)	22.8 / 24.9

The structure of Structure of the Francisella Response Regulator Kdpe Receiver Domain also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Structure of the Francisella Response Regulator Kdpe Receiver Domain (pdb code 8svz). 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 Francisella Response Regulator Kdpe Receiver Domain, PDB code: 8svz:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Structure of the Francisella Response Regulator Kdpe Receiver Domain


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 Francisella Response Regulator Kdpe Receiver Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:129.5 occ:1.00 F1 A:BEF201 0.0 129.5 1.0 BE A:BEF201 1.5 154.7 1.0 H A:GLY55 1.8 194.9 1.0 HG A:SER80 2.0 174.3 1.0 OD1 A:ASP53 2.4 131.7 1.0 F3 A:BEF201 2.4 143.6 1.0 N A:GLY55 2.5 162.3 1.0 F2 A:BEF201 2.5 150.7 1.0 HA3 A:GLY55 2.6 184.5 1.0 OG A:SER80 2.8 145.1 1.0 CA A:GLY55 3.0 153.7 1.0 H A:LEU54 3.1 159.4 1.0 H A:ALA81 3.2 156.1 1.0 CG A:ASP53 3.4 123.1 1.0 HA A:SER80 3.4 170.1 1.0 HB2 A:LEU54 3.5 186.6 1.0 C A:LEU54 3.5 148.7 1.0 N A:LEU54 3.6 132.8 1.0 HA2 A:GLY55 3.6 184.5 1.0 CB A:SER80 3.7 146.0 1.0 OD2 A:ASP53 3.8 151.6 1.0 HB2 A:SER80 3.8 175.3 1.0 HH12 A:ARG82 3.8 202.6 1.0 N A:ALA81 3.9 130.0 1.0 HD2 A:ARG82 3.9 194.1 1.0 CA A:LEU54 4.0 141.5 1.0 CA A:SER80 4.0 141.7 1.0 HZ2 A:LYS102 4.1 222.1 1.0 C A:GLY55 4.1 149.4 1.0 NH1 A:ARG82 4.1 168.8 1.0 H A:ARG82 4.1 148.4 1.0 MG A:MG202 4.1 118.2 1.0 CB A:LEU54 4.2 155.4 1.0 HB3 A:ALA81 4.2 120.6 1.0 HH11 A:ARG82 4.2 202.6 1.0 HG3 A:ARG82 4.3 175.5 1.0 O A:GLY55 4.4 145.6 1.0 C A:SER80 4.5 111.0 1.0 HZ1 A:LYS102 4.5 222.1 1.0 C A:ASP53 4.6 146.2 1.0 O A:LEU54 4.6 137.1 1.0 HA A:ASP53 4.6 167.4 1.0 HB3 A:SER80 4.6 175.3 1.0 HB3 A:LEU54 4.6 186.6 1.0 CB A:ASP53 4.7 127.6 1.0 NZ A:LYS102 4.7 185.0 1.0 CD A:ARG82 4.7 161.6 1.0 CZ A:ARG82 4.8 124.3 1.0 CA A:ASP53 4.9 139.4 1.0 N A:ARG82 4.9 123.6 1.0 HA A:LEU54 4.9 169.9 1.0 CB A:ALA81 4.9 100.7 1.0 CA A:ALA81 4.9 129.3 1.0

Fluorine binding site 2 out of 6 in the Structure of the Francisella Response Regulator Kdpe Receiver Domain


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 Francisella Response Regulator Kdpe Receiver Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:150.7 occ:1.00 F2 A:BEF201 0.0 150.7 1.0 BE A:BEF201 1.6 154.7 1.0 MG A:MG202 1.9 118.2 1.0 OD2 A:ASP53 2.2 151.6 1.0 F3 A:BEF201 2.5 143.6 1.0 F1 A:BEF201 2.5 129.5 1.0 OD1 A:ASP53 2.5 131.7 1.0 CG A:ASP53 2.7 123.1 1.0 HA3 A:GLY55 2.8 184.5 1.0 H A:GLY55 3.0 194.9 1.0 O A:GLY55 3.2 145.6 1.0 HZ2 A:LYS102 3.3 222.1 1.0 CA A:GLY55 3.4 153.7 1.0 N A:GLY55 3.6 162.3 1.0 C A:GLY55 3.6 149.4 1.0 HZ1 A:LYS102 3.7 222.1 1.0 OD1 A:ASP10 3.7 144.0 1.0 NZ A:LYS102 3.9 185.0 1.0 OE2 A:GLU9 4.1 166.9 1.0 CB A:ASP53 4.2 127.6 1.0 HZ3 A:LYS102 4.2 222.1 1.0 HA2 A:GLY55 4.3 184.5 1.0 HG A:SER80 4.3 174.3 1.0 H A:ALA81 4.5 156.1 1.0 HB2 A:ASP53 4.5 153.2 1.0 HB3 A:ASP53 4.5 153.2 1.0 H A:LEU54 4.6 159.4 1.0 CG A:ASP10 4.7 153.0 1.0 HA A:SER80 4.7 170.1 1.0 OE1 A:GLU9 4.8 144.0 1.0 N A:LEU56 4.8 156.6 1.0 OD2 A:ASP10 4.8 184.8 1.0 C A:LEU54 4.8 148.7 1.0 CD A:GLU9 4.9 160.4 1.0 N A:LEU54 4.9 132.8 1.0 H A:ASP10 5.0 173.4 1.0

Fluorine binding site 3 out of 6 in the Structure of the Francisella Response Regulator Kdpe Receiver Domain


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 Francisella Response Regulator Kdpe Receiver Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:143.6 occ:1.00 F3 A:BEF201 0.0 143.6 1.0 BE A:BEF201 1.5 154.7 1.0 HZ2 A:LYS102 1.7 222.1 1.0 NZ A:LYS102 2.4 185.0 1.0 HZ1 A:LYS102 2.4 222.1 1.0 H A:ALA81 2.4 156.1 1.0 F1 A:BEF201 2.4 129.5 1.0 OD1 A:ASP53 2.4 131.7 1.0 F2 A:BEF201 2.5 150.7 1.0 HA A:SER80 2.5 170.1 1.0 HE3 A:LYS102 3.0 169.8 1.0 HD2 A:LYS102 3.0 168.3 1.0 HZ3 A:LYS102 3.1 222.1 1.0 CE A:LYS102 3.1 141.4 1.0 HG A:SER80 3.2 174.3 1.0 N A:ALA81 3.2 130.0 1.0 CG A:ASP53 3.2 123.1 1.0 CA A:SER80 3.4 141.7 1.0 OD2 A:ASP53 3.5 151.6 1.0 CD A:LYS102 3.6 140.1 1.0 H A:GLY55 3.7 194.9 1.0 C A:SER80 3.8 111.0 1.0 HB2 A:ALA81 3.8 120.6 1.0 OG A:SER80 3.8 145.1 1.0 HB3 A:ALA81 3.8 120.6 1.0 O A:VAL79 4.0 144.4 1.0 HE2 A:LYS102 4.0 169.8 1.0 CB A:SER80 4.1 146.0 1.0 H A:LEU54 4.1 159.4 1.0 HD3 A:LYS102 4.1 168.3 1.0 CB A:ALA81 4.1 100.7 1.0 HB2 A:SER80 4.2 175.3 1.0 CA A:ALA81 4.3 129.3 1.0 MG A:MG202 4.3 118.2 1.0 HA A:ASP53 4.4 167.4 1.0 N A:SER80 4.4 119.6 1.0 CB A:ASP53 4.4 127.6 1.0 HA3 A:GLY55 4.5 184.5 1.0 HB2 A:ASP53 4.5 153.2 1.0 OE1 A:GLU9 4.5 144.0 1.0 N A:GLY55 4.5 162.3 1.0 C A:VAL79 4.6 122.1 1.0 HG3 A:LYS102 4.7 169.7 1.0 H A:ARG82 4.7 148.4 1.0 N A:LEU54 4.8 132.8 1.0 CG A:LYS102 4.8 141.3 1.0 HA A:ALA81 4.8 155.3 1.0 OE2 A:GLU9 4.8 166.9 1.0 CA A:ASP53 4.9 139.4 1.0 O A:SER80 5.0 117.9 1.0 HB3 A:SER80 5.0 175.3 1.0

Fluorine binding site 4 out of 6 in the Structure of the Francisella Response Regulator Kdpe Receiver Domain


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 Francisella Response Regulator Kdpe Receiver Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:177.0 occ:1.00 F1 B:BEF201 0.0 177.0 1.0 BE B:BEF201 1.5 198.3 1.0 HG B:SER80 2.2 219.7 1.0 H B:GLY55 2.2 252.7 1.0 F3 B:BEF201 2.4 195.8 1.0 F2 B:BEF201 2.5 202.7 1.0 HA3 B:GLY55 2.6 251.6 1.0 OD1 B:ASP53 2.7 187.7 1.0 H B:ALA81 2.8 200.8 1.0 N B:GLY55 2.9 210.5 1.0 OG B:SER80 3.0 183.0 1.0 CA B:GLY55 3.2 209.6 1.0 HA B:SER80 3.5 221.9 1.0 N B:ALA81 3.6 167.2 1.0 HG3 B:ARG82 3.7 208.1 1.0 CG B:ASP53 3.7 180.5 1.0 HB3 B:ALA81 3.7 203.0 1.0 H B:LEU54 3.7 234.4 1.0 HZ3 B:LYS102 3.8 209.8 1.0 H B:ARG82 3.8 232.3 1.0 HA2 B:GLY55 3.9 251.6 1.0 OD2 B:ASP53 3.9 178.2 1.0 CB B:SER80 4.0 168.4 1.0 CA B:SER80 4.0 184.8 1.0 HE2 B:LYS102 4.1 211.1 1.0 HB2 B:LEU54 4.1 219.5 1.0 C B:LEU54 4.1 218.6 1.0 HB2 B:SER80 4.1 202.2 1.0 MG B:MG202 4.1 179.8 1.0 HE B:ARG82 4.2 230.5 1.0 N B:LEU54 4.2 195.3 1.0 C B:GLY55 4.2 213.2 1.0 C B:SER80 4.3 175.6 1.0 CB B:ALA81 4.4 169.1 1.0 O B:GLY55 4.4 215.0 1.0 HB2 B:ALA81 4.5 203.0 1.0 NZ B:LYS102 4.5 174.8 1.0 CA B:ALA81 4.5 157.6 1.0 CA B:LEU54 4.6 213.8 1.0 N B:ARG82 4.6 193.5 1.0 CE B:LYS102 4.6 175.8 1.0 CG B:ARG82 4.6 173.3 1.0 HE3 B:LYS102 4.6 211.1 1.0 O B:HOH305 4.7 147.5 1.0 HZ1 B:LYS102 4.7 209.8 1.0 NE B:ARG82 4.8 192.0 1.0 CB B:LEU54 4.8 182.8 1.0 HB3 B:SER80 4.8 202.2 1.0 HG2 B:ARG82 5.0 208.1 1.0 OE2 B:GLU11 5.0 194.5 1.0

Fluorine binding site 5 out of 6 in the Structure of the Francisella Response Regulator Kdpe Receiver Domain


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 Francisella Response Regulator Kdpe Receiver Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:202.7 occ:1.00 F2 B:BEF201 0.0 202.7 1.0 BE B:BEF201 1.6 198.3 1.0 OD1 B:ASP53 1.7 187.7 1.0 HZ3 B:LYS102 1.8 209.8 1.0 HZ1 B:LYS102 2.3 209.8 1.0 CG B:ASP53 2.3 180.5 1.0 NZ B:LYS102 2.3 174.8 1.0 F3 B:BEF201 2.5 195.8 1.0 F1 B:BEF201 2.5 177.0 1.0 HE2 B:LYS102 2.6 211.1 1.0 HA B:SER80 2.7 221.9 1.0 OD2 B:ASP53 2.7 178.2 1.0 CE B:LYS102 2.9 175.8 1.0 HZ2 B:LYS102 3.1 209.8 1.0 H B:ALA81 3.2 200.8 1.0 H B:GLY55 3.4 252.7 1.0 HE3 B:LYS102 3.4 211.1 1.0 HG B:SER80 3.4 219.7 1.0 CB B:ASP53 3.5 197.8 1.0 HB2 B:ASP53 3.5 237.5 1.0 O B:VAL79 3.6 170.6 1.0 HA B:ASP53 3.6 214.2 1.0 CA B:SER80 3.6 184.8 1.0 H B:LEU54 3.6 234.4 1.0 OE1 B:GLU9 3.8 205.2 1.0 N B:ALA81 3.9 167.2 1.0 CA B:ASP53 4.0 178.4 1.0 OE2 B:GLU9 4.1 216.2 1.0 OG B:SER80 4.1 183.0 1.0 MG B:MG202 4.2 179.8 1.0 HB2 B:SER80 4.2 202.2 1.0 N B:LEU54 4.2 195.3 1.0 N B:GLY55 4.2 210.5 1.0 CD B:LYS102 4.2 147.9 1.0 CB B:SER80 4.2 168.4 1.0 HD3 B:LYS102 4.2 177.6 1.0 HB3 B:ASP53 4.2 237.5 1.0 C B:SER80 4.3 175.6 1.0 CD B:GLU9 4.4 189.6 1.0 HA3 B:GLY55 4.4 251.6 1.0 OE2 B:GLU11 4.4 194.5 1.0 C B:VAL79 4.5 172.6 1.0 N B:SER80 4.5 145.2 1.0 C B:ASP53 4.6 203.4 1.0 HG3 B:LYS102 4.7 220.7 1.0 CD B:GLU11 4.7 213.1 1.0 HB2 B:ALA81 4.7 203.0 1.0 CA B:GLY55 4.8 209.6 1.0 HB3 B:ALA81 4.8 203.0 1.0 OE1 B:GLU11 4.8 211.3 1.0 HD2 B:LYS102 4.9 177.6 1.0 HG3 B:GLU11 5.0 253.8 1.0

Fluorine binding site 6 out of 6 in the Structure of the Francisella Response Regulator Kdpe Receiver Domain


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 Francisella Response Regulator Kdpe Receiver Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:195.8 occ:1.00 F3 B:BEF201 0.0 195.8 1.0 BE B:BEF201 1.5 198.3 1.0 MG B:MG202 1.9 179.8 1.0 OD2 B:ASP53 2.1 178.2 1.0 F1 B:BEF201 2.4 177.0 1.0 F2 B:BEF201 2.5 202.7 1.0 OD1 B:ASP53 2.6 187.7 1.0 HA3 B:GLY55 2.7 251.6 1.0 CG B:ASP53 2.7 180.5 1.0 O B:GLY55 2.8 215.0 1.0 H B:GLY55 2.9 252.7 1.0 HZ3 B:LYS102 3.2 209.8 1.0 CA B:GLY55 3.2 209.6 1.0 C B:GLY55 3.3 213.2 1.0 N B:GLY55 3.4 210.5 1.0 OD1 B:ASP10 3.5 203.2 1.0 OE2 B:GLU11 3.7 194.5 1.0 HG3 B:GLU11 4.0 253.8 1.0 NZ B:LYS102 4.0 174.8 1.0 OE2 B:GLU9 4.1 216.2 1.0 HA2 B:GLY55 4.1 251.6 1.0 HZ1 B:LYS102 4.2 209.8 1.0 CB B:ASP53 4.2 197.8 1.0 CD B:GLU11 4.3 213.1 1.0 HG B:SER80 4.4 219.7 1.0 CG B:ASP10 4.4 205.8 1.0 N B:LEU56 4.5 204.5 1.0 HZ2 B:LYS102 4.5 209.8 1.0 HB3 B:ASP53 4.5 237.5 1.0 OD2 B:ASP10 4.5 186.7 1.0 HB2 B:ASP53 4.6 237.5 1.0 H B:LEU54 4.6 234.4 1.0 CG B:GLU11 4.6 211.4 1.0 H B:ALA81 4.7 200.8 1.0 C B:LEU54 4.7 218.6 1.0 HE2 B:LYS102 4.7 211.1 1.0 HA B:LEU56 4.8 240.2 1.0 N B:LEU54 4.8 195.3 1.0 HA B:SER80 4.9 221.9 1.0 H B:ASP10 4.9 256.1 1.0 CE B:LYS102 4.9 175.8 1.0 CD B:GLU9 4.9 189.6 1.0 OE1 B:GLU9 4.9 205.2 1.0 HE3 B:LYS102 5.0 211.1 1.0

K.E.Gaddy, E.M.Bensch, J.Cavanagh, M.E.Milton. Insights Into Dna-Binding Motifs and Mechanisms of Francisella Tularensis Novicida Two-Component System Response Regulator Proteins Qseb, Kdpe, and Bfpr. Biochem.Biophys.Res.Commun. V. 722 50150 2024.
ISSN: ESSN 1090-2104
PubMed: 38805787
DOI: 10.1016/J.BBRC.2024.150150