Fluorine in PDB 6is1: Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg

The structure of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg, PDB code: 6is1 was solved by Y.Wen, Z.Ouyang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.77 / 1.59
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	61.112, 61.742, 66.063, 90.36, 105.45, 92.01
R / Rfree (%)	15.9 / 18.9

The structure of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg also contains other interesting chemical elements:

Magnesium

(Mg)

8 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg (pdb code 6is1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 24 binding sites of Fluorine where determined in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg, PDB code: 6is1:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 24 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:15.9 occ:1.00 F1 A:BEF301 0.0 15.9 1.0 BE A:BEF301 1.5 14.5 1.0 HG1 A:THR79 1.9 21.6 1.0 H A:MET54 2.1 17.0 1.0 H A:LEU53 2.4 16.8 1.0 F2 A:BEF301 2.4 15.7 1.0 OD1 A:ASP52 2.4 15.8 1.0 F3 A:BEF301 2.5 17.3 1.0 HB2 A:LEU53 2.6 20.7 1.0 OG1 A:THR79 2.7 18.0 1.0 O A:HOH554 2.9 31.7 1.0 HG3 A:MET54 2.9 22.9 0.5 N A:MET54 3.0 14.2 1.0 HG2 A:MET54 3.0 20.5 0.5 HA A:THR79 3.1 16.2 1.0 N A:LEU53 3.2 14.0 1.0 HB A:THR79 3.2 19.1 1.0 H A:ALA80 3.4 19.6 1.0 CB A:THR79 3.4 15.9 1.0 HB2 A:MET54 3.4 21.1 0.5 HB2 A:MET54 3.4 18.0 0.5 CB A:LEU53 3.4 17.2 1.0 CG A:ASP52 3.5 13.5 1.0 CA A:LEU53 3.6 14.6 1.0 CA A:THR79 3.7 13.5 1.0 C A:LEU53 3.7 18.1 1.0 CG A:MET54 3.7 19.1 0.5 CG A:MET54 3.8 17.1 0.5 CB A:MET54 3.9 15.0 0.5 CB A:MET54 3.9 17.6 0.5 CA A:MET54 4.0 17.3 0.5 CA A:MET54 4.0 17.2 0.5 HB3 A:LEU53 4.0 20.7 1.0 N A:ALA80 4.0 16.4 1.0 OD2 A:ASP52 4.1 14.1 1.0 HZ2 A:LYS101 4.1 20.1 1.0 O A:ILE78 4.2 13.6 1.0 HG A:LEU53 4.2 27.2 1.0 MG A:MG302 4.3 15.8 1.0 C A:ASP52 4.3 12.9 1.0 HA A:ASP52 4.3 14.1 1.0 H A:LYS81 4.3 24.2 1.0 HG3 A:MET54 4.4 20.5 0.5 CG A:LEU53 4.4 22.7 1.0 C A:THR79 4.4 14.9 1.0 HG2 A:MET54 4.4 22.9 0.5 O A:HOH567 4.5 35.9 1.0 HA A:LEU53 4.5 17.5 1.0 HG3 A:LYS81 4.5 33.7 1.0 HD12 A:LEU53 4.6 28.8 1.0 HE2 A:LYS81 4.6 51.0 1.0 O A:MET54 4.6 14.8 1.0 CA A:ASP52 4.6 11.7 1.0 HE3 A:LYS101 4.6 19.7 1.0 CB A:ASP52 4.6 14.8 1.0 SD A:MET54 4.7 24.6 0.5 HA A:MET54 4.7 20.7 1.0 C A:MET54 4.8 17.5 1.0 HD2 A:LYS81 4.8 37.7 1.0 HB3 A:ALA80 4.8 25.1 1.0 HB3 A:MET54 4.8 21.1 0.5 HB3 A:MET54 4.8 18.0 0.5 CG2 A:THR79 4.8 17.4 1.0 NZ A:LYS101 4.8 16.7 1.0 N A:THR79 4.9 13.7 1.0 HZ1 A:LYS101 4.9 20.1 1.0 O A:HOH439 4.9 16.5 1.0 O A:LEU53 4.9 17.6 1.0 C A:ILE78 5.0 13.2 1.0 HD2 A:LYS101 5.0 16.8 1.0

Fluorine binding site 2 out of 24 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:15.7 occ:1.00 F2 A:BEF301 0.0 15.7 1.0 BE A:BEF301 1.6 14.5 1.0 HZ2 A:LYS101 2.1 20.1 1.0 F1 A:BEF301 2.4 15.9 1.0 H A:ALA80 2.5 19.6 1.0 F3 A:BEF301 2.5 17.3 1.0 OD1 A:ASP52 2.5 15.8 1.0 HA A:THR79 2.7 16.2 1.0 O A:HOH567 2.7 35.9 1.0 HD2 A:LYS101 2.8 16.8 1.0 NZ A:LYS101 2.9 16.7 1.0 HG1 A:THR79 3.2 21.6 1.0 HE3 A:LYS101 3.2 19.7 1.0 N A:ALA80 3.3 16.4 1.0 HZ1 A:LYS101 3.3 20.1 1.0 O A:HOH554 3.3 31.7 1.0 CE A:LYS101 3.4 16.4 1.0 HZ3 A:LYS101 3.5 20.1 1.0 CD A:LYS101 3.5 14.0 1.0 CA A:THR79 3.5 13.5 1.0 O A:HOH439 3.6 16.5 1.0 CG A:ASP52 3.6 13.5 1.0 OG1 A:THR79 3.9 18.0 1.0 C A:THR79 3.9 14.9 1.0 HB2 A:ALA80 3.9 25.1 1.0 HB3 A:ALA80 3.9 25.1 1.0 HD3 A:LYS101 4.0 16.8 1.0 MG A:MG302 4.1 15.8 1.0 H A:LEU53 4.1 16.8 1.0 OD2 A:ASP52 4.1 14.1 1.0 H A:MET54 4.1 17.0 1.0 CB A:THR79 4.2 15.9 1.0 CB A:ALA80 4.2 21.0 1.0 HE2 A:LYS101 4.3 19.7 1.0 CA A:ALA80 4.4 19.2 1.0 O A:ILE78 4.4 13.6 1.0 HB A:THR79 4.4 19.1 1.0 HB2 A:MET54 4.4 21.1 0.5 HB2 A:MET54 4.5 18.0 0.5 O A:HOH503 4.5 20.3 1.0 O A:HOH570 4.5 35.5 1.0 N A:THR79 4.6 13.7 1.0 HG3 A:LYS101 4.6 15.8 1.0 O A:HOH574 4.7 46.7 1.0 HB2 A:LYS101 4.7 16.8 1.0 CG A:LYS101 4.7 13.2 1.0 HG2 A:MET54 4.8 20.5 0.5 HG3 A:MET54 4.8 22.9 0.5 H A:LYS81 4.8 24.2 1.0 C A:ILE78 4.9 13.2 1.0 HA A:ASP52 4.9 14.1 1.0 CB A:ASP52 4.9 14.8 1.0 N A:LEU53 4.9 14.0 1.0 HA A:ALA80 4.9 23.0 1.0 O A:HOH501 4.9 16.8 1.0 OE1 A:GLU8 4.9 17.0 1.0 HB2 A:LEU53 4.9 20.7 1.0 N A:MET54 5.0 14.2 1.0

Fluorine binding site 3 out of 24 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:17.3 occ:1.00 F3 A:BEF301 0.0 17.3 1.0 BE A:BEF301 1.6 14.5 1.0 MG A:MG302 1.9 15.8 1.0 HB2 A:MET54 2.3 21.1 0.5 HB2 A:MET54 2.4 18.0 0.5 OD1 A:ASP52 2.5 15.8 1.0 F1 A:BEF301 2.5 15.9 1.0 F2 A:BEF301 2.5 15.7 1.0 H A:MET54 2.7 17.0 1.0 OD2 A:ASP52 2.7 14.1 1.0 O A:HOH439 2.8 16.5 1.0 O A:HOH501 2.9 16.8 1.0 CG A:ASP52 2.9 13.5 1.0 O A:MET54 2.9 14.8 1.0 CB A:MET54 3.2 17.6 0.5 CB A:MET54 3.2 15.0 0.5 N A:MET54 3.3 14.2 1.0 O A:HOH554 3.4 31.7 1.0 HZ2 A:LYS101 3.5 20.1 1.0 O A:HOH567 3.5 35.9 1.0 CA A:MET54 3.6 17.3 0.5 CA A:MET54 3.6 17.2 0.5 HG2 A:MET54 3.6 20.5 0.5 C A:MET54 3.6 17.5 1.0 O A:HOH574 3.7 46.7 1.0 HG3 A:MET54 3.7 22.9 0.5 HB3 A:MET54 3.8 21.1 0.5 H A:LEU53 3.9 16.8 1.0 OD1 A:ASP9 3.9 18.1 1.0 CG A:MET54 3.9 17.1 0.5 HB3 A:MET54 3.9 18.0 0.5 CG A:MET54 4.0 19.1 0.5 HZ1 A:LYS101 4.2 20.1 1.0 HG1 A:THR79 4.2 21.6 1.0 NZ A:LYS101 4.3 16.7 1.0 HG3 A:MET54 4.3 20.5 0.5 N A:LEU53 4.4 14.0 1.0 O A:HOH570 4.5 35.5 1.0 CB A:ASP52 4.5 14.8 1.0 C A:LEU53 4.5 18.1 1.0 HA A:MET54 4.5 20.7 1.0 H A:ALA80 4.6 19.6 1.0 HZ3 A:LYS101 4.7 20.1 1.0 HA A:THR79 4.7 16.2 1.0 SD A:MET54 4.7 24.6 0.5 HB2 A:LEU53 4.8 20.7 1.0 HB3 A:ASP52 4.8 17.7 1.0 HG2 A:MET54 4.8 22.9 0.5 HB2 A:ASP52 4.9 17.7 1.0 HG A:LEU55 4.9 15.7 1.0 N A:LEU55 4.9 14.0 1.0 CA A:LEU53 5.0 14.6 1.0 OE2 A:GLU8 5.0 17.6 1.0 CG A:ASP9 5.0 18.3 1.0

Fluorine binding site 4 out of 24 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:30.6 occ:1.00 F1 C:BEF301 0.0 30.6 1.0 BE C:BEF301 1.5 36.3 1.0 HG1 C:THR79 1.9 39.9 1.0 H C:MET54 2.1 41.6 1.0 OD1 C:ASP52 2.2 28.7 1.0 H C:LEU53 2.2 37.5 1.0 F3 C:BEF301 2.5 31.0 1.0 F2 C:BEF301 2.6 35.7 1.0 HB2 C:LEU53 2.6 37.4 1.0 OG1 C:THR79 2.7 33.3 1.0 N C:MET54 2.9 34.6 1.0 N C:LEU53 3.0 31.3 1.0 HA C:THR79 3.0 30.6 1.0 HB2 C:MET54 3.1 58.3 1.0 CG C:ASP52 3.2 36.6 1.0 HB C:THR79 3.2 33.6 1.0 H C:ALA80 3.3 35.1 1.0 CB C:THR79 3.4 28.1 1.0 CB C:LEU53 3.4 31.1 1.0 CA C:LEU53 3.5 28.5 1.0 HG3 C:MET54 3.7 60.1 1.0 CA C:THR79 3.7 25.5 1.0 C C:LEU53 3.7 32.5 1.0 OD2 C:ASP52 3.7 33.1 1.0 CB C:MET54 3.8 48.6 1.0 CA C:MET54 3.9 37.0 1.0 HZ1 C:LYS101 4.0 40.2 1.0 HB3 C:LEU53 4.0 37.4 1.0 N C:ALA80 4.0 29.3 1.0 C C:ASP52 4.1 22.8 1.0 HA C:ASP52 4.1 35.8 1.0 CG C:MET54 4.1 50.1 1.0 O C:ILE78 4.1 27.2 1.0 HG C:LEU53 4.2 40.7 1.0 MG C:MG302 4.2 33.7 1.0 H C:LYS81 4.3 44.5 1.0 CB C:ASP52 4.3 25.3 1.0 CA C:ASP52 4.4 29.9 1.0 CG C:LEU53 4.4 34.0 1.0 C C:THR79 4.4 33.4 1.0 HA C:LEU53 4.4 34.2 1.0 HG3 C:LYS81 4.5 59.6 1.0 O C:MET54 4.6 39.4 1.0 HD12 C:LEU53 4.6 37.6 1.0 SD C:MET54 4.6 62.5 1.0 HB3 C:MET54 4.7 58.3 1.0 HA C:MET54 4.7 44.3 1.0 C C:MET54 4.7 36.1 1.0 HB3 C:ALA80 4.8 43.2 1.0 NZ C:LYS101 4.8 33.5 1.0 HB2 C:ASP52 4.8 30.3 1.0 N C:THR79 4.8 24.2 1.0 CG2 C:THR79 4.8 26.2 1.0 HZ3 C:LYS101 4.8 40.2 1.0 O C:LEU53 4.9 36.6 1.0 C C:ILE78 4.9 27.3 1.0 O C:HOH478 4.9 43.5 1.0 HE3 C:LYS101 4.9 43.9 1.0 HB2 C:LYS81 5.0 40.6 1.0 HB3 C:ASP52 5.0 30.3 1.0

Fluorine binding site 5 out of 24 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:35.7 occ:1.00 F2 C:BEF301 0.0 35.7 1.0 BE C:BEF301 1.6 36.3 1.0 MG C:MG302 1.9 33.7 1.0 OD1 C:ASP52 2.4 28.7 1.0 F3 C:BEF301 2.5 31.0 1.0 HB2 C:MET54 2.5 58.3 1.0 OD2 C:ASP52 2.5 33.1 1.0 F1 C:BEF301 2.6 30.6 1.0 O C:HOH402 2.8 30.4 1.0 CG C:ASP52 2.8 36.6 1.0 H C:MET54 2.9 41.6 1.0 O C:HOH431 3.0 43.0 1.0 O C:MET54 3.1 39.4 1.0 HZ1 C:LYS101 3.3 40.2 1.0 CB C:MET54 3.4 48.6 1.0 N C:MET54 3.6 34.6 1.0 O C:HOH478 3.7 43.5 1.0 CA C:MET54 3.8 37.0 1.0 C C:MET54 3.8 36.1 1.0 HB3 C:MET54 3.8 58.3 1.0 OD1 C:ASP9 4.0 47.1 1.0 H C:LEU53 4.0 37.5 1.0 NZ C:LYS101 4.0 33.5 1.0 HZ3 C:LYS101 4.1 40.2 1.0 HG1 C:THR79 4.3 39.9 1.0 HZ2 C:LYS101 4.3 40.2 1.0 CB C:ASP52 4.3 25.3 1.0 H C:ALA80 4.4 35.1 1.0 CG C:MET54 4.4 50.1 1.0 HG3 C:MET54 4.5 60.1 1.0 HA C:THR79 4.5 30.6 1.0 N C:LEU53 4.6 31.3 1.0 OE2 C:GLU8 4.6 35.5 1.0 HB2 C:ASP52 4.6 30.3 1.0 HB3 C:ASP52 4.7 30.3 1.0 C C:LEU53 4.7 32.5 1.0 HA C:MET54 4.7 44.3 1.0 SD C:MET54 4.8 62.5 1.0 CG C:ASP9 4.9 49.9 1.0 HB2 C:LEU53 4.9 37.4 1.0 HG C:LEU55 5.0 36.5 1.0 O C:HOH444 5.0 37.4 1.0

Fluorine binding site 6 out of 24 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:31.0 occ:1.00 F3 C:BEF301 0.0 31.0 1.0 BE C:BEF301 1.5 36.3 1.0 HZ1 C:LYS101 1.9 40.2 1.0 H C:ALA80 2.3 35.1 1.0 F2 C:BEF301 2.5 35.7 1.0 F1 C:BEF301 2.5 30.6 1.0 HA C:THR79 2.6 30.6 1.0 OD1 C:ASP52 2.6 28.7 1.0 NZ C:LYS101 2.8 33.5 1.0 HD2 C:LYS101 2.8 32.6 1.0 O C:HOH478 3.0 43.5 1.0 N C:ALA80 3.1 29.3 1.0 HG1 C:THR79 3.2 39.9 1.0 HZ3 C:LYS101 3.2 40.2 1.0 HZ2 C:LYS101 3.2 40.2 1.0 HE3 C:LYS101 3.4 43.9 1.0 CE C:LYS101 3.4 36.6 1.0 CA C:THR79 3.4 25.5 1.0 CD C:LYS101 3.5 27.2 1.0 HB2 C:ALA80 3.6 43.2 1.0 CG C:ASP52 3.7 36.6 1.0 C C:THR79 3.7 33.4 1.0 HB3 C:ALA80 3.7 43.2 1.0 O C:HOH402 3.8 30.4 1.0 OG1 C:THR79 3.9 33.3 1.0 CB C:ALA80 4.0 36.0 1.0 HD3 C:LYS101 4.0 32.6 1.0 MG C:MG302 4.1 33.7 1.0 CA C:ALA80 4.1 27.4 1.0 O C:HOH444 4.1 37.4 1.0 OD2 C:ASP52 4.2 33.1 1.0 CB C:THR79 4.2 28.1 1.0 H C:LEU53 4.2 37.5 1.0 H C:MET54 4.3 41.6 1.0 HB2 C:MET54 4.3 58.3 1.0 HE2 C:LYS101 4.3 43.9 1.0 O C:ILE78 4.4 27.2 1.0 HB C:THR79 4.4 33.6 1.0 N C:THR79 4.5 24.2 1.0 HG3 C:LYS101 4.6 44.4 1.0 H C:LYS81 4.7 44.5 1.0 HA C:ALA80 4.7 32.9 1.0 CG C:LYS101 4.7 37.0 1.0 C C:ILE78 4.8 27.3 1.0 OE1 C:GLU8 4.8 36.9 1.0 O C:THR79 4.8 29.9 1.0 CB C:ASP52 4.8 25.3 1.0 HB2 C:LYS101 4.9 41.4 1.0 HB2 C:ASP52 4.9 30.3 1.0 HA C:ASP52 4.9 35.8 1.0 HB1 C:ALA80 4.9 43.2 1.0 N C:LEU53 5.0 31.3 1.0

Fluorine binding site 7 out of 24 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:13.4 occ:1.00 F1 B:BEF301 0.0 13.4 1.0 BE B:BEF301 1.5 16.5 1.0 H B:MET54 2.0 15.4 1.0 H B:LEU53 2.4 14.3 1.0 F3 B:BEF301 2.4 16.8 1.0 OD1 B:ASP52 2.5 13.9 1.0 F2 B:BEF301 2.5 14.8 1.0 HB2 B:LEU53 2.7 13.6 1.0 OG1 B:THR79 2.7 14.0 1.0 N B:MET54 2.9 12.9 1.0 HG1 B:THR79 3.0 16.8 1.0 HG2 B:MET54 3.0 23.4 0.6 O B:HOH555 3.0 33.6 1.0 HG3 B:MET54 3.1 24.1 0.4 N B:LEU53 3.1 12.0 1.0 HA B:THR79 3.2 13.9 1.0 HB2 B:MET54 3.3 19.6 0.4 HB B:THR79 3.3 13.8 1.0 HB2 B:MET54 3.3 19.2 0.6 CB B:THR79 3.4 11.5 1.0 CG B:ASP52 3.4 13.2 1.0 H B:ALA80 3.5 19.2 1.0 CB B:LEU53 3.5 11.4 1.0 CA B:LEU53 3.5 10.8 1.0 C B:LEU53 3.7 13.5 1.0 CG B:MET54 3.8 20.1 0.4 CG B:MET54 3.8 19.5 0.6 CB B:MET54 3.8 16.4 0.4 CA B:THR79 3.8 11.6 1.0 CB B:MET54 3.8 16.0 0.6 CA B:MET54 3.9 13.7 0.4 CA B:MET54 3.9 14.0 0.6 OD2 B:ASP52 4.0 14.2 1.0 HG B:LEU53 4.1 14.4 1.0 HZ2 B:LYS101 4.1 17.2 1.0 HB3 B:LEU53 4.1 13.6 1.0 N B:ALA80 4.1 16.0 1.0 HG3 B:MET54 4.2 23.4 0.6 MG B:MG302 4.2 13.3 1.0 HA B:ASP52 4.3 11.4 1.0 O B:ILE78 4.3 12.9 1.0 C B:ASP52 4.3 10.5 1.0 HG3 B:LYS81 4.3 31.2 1.0 H B:LYS81 4.4 17.9 1.0 O B:HOH591 4.4 37.4 1.0 CG B:LEU53 4.4 12.0 1.0 SD B:MET54 4.4 27.4 0.4 HA B:LEU53 4.5 13.0 1.0 C B:THR79 4.5 11.4 1.0 O B:MET54 4.5 15.9 1.0 HG2 B:MET54 4.6 24.1 0.4 CA B:ASP52 4.6 9.5 1.0 CB B:ASP52 4.6 12.8 1.0 HA B:MET54 4.6 16.4 1.0 C B:MET54 4.6 12.2 1.0 HD12 B:LEU53 4.7 18.2 1.0 HB3 B:ALA80 4.7 18.1 1.0 HB3 B:MET54 4.7 19.6 0.4 HB3 B:MET54 4.8 19.2 0.6 O B:HOH575 4.8 33.1 1.0 CG2 B:THR79 4.8 11.2 1.0 O B:LEU53 4.9 12.8 1.0 O B:HOH435 4.9 15.3 1.0 NZ B:LYS101 4.9 14.3 1.0 HE3 B:LYS101 4.9 14.2 1.0 HD2 B:LYS81 5.0 37.4 1.0 HD2 B:LYS101 5.0 21.4 1.0 N B:THR79 5.0 12.6 1.0 HG21 B:THR79 5.0 13.4 1.0

Fluorine binding site 8 out of 24 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:14.8 occ:1.00 F2 B:BEF301 0.0 14.8 1.0 BE B:BEF301 1.6 16.5 1.0 HZ2 B:LYS101 2.1 17.2 1.0 H B:ALA80 2.4 19.2 1.0 F3 B:BEF301 2.5 16.8 1.0 F1 B:BEF301 2.5 13.4 1.0 OD1 B:ASP52 2.5 13.9 1.0 HA B:THR79 2.6 13.9 1.0 HD2 B:LYS101 2.8 21.4 1.0 O B:HOH575 2.8 33.1 1.0 NZ B:LYS101 2.9 14.3 1.0 N B:ALA80 3.2 16.0 1.0 O B:HOH555 3.4 33.6 1.0 HZ1 B:LYS101 3.4 17.2 1.0 HZ3 B:LYS101 3.4 17.2 1.0 HE3 B:LYS101 3.4 14.2 1.0 CE B:LYS101 3.5 11.9 1.0 CA B:THR79 3.5 11.6 1.0 CD B:LYS101 3.5 17.9 1.0 O B:HOH435 3.6 15.3 1.0 CG B:ASP52 3.6 13.2 1.0 HB2 B:ALA80 3.8 18.1 1.0 HB3 B:ALA80 3.8 18.1 1.0 OG1 B:THR79 3.8 14.0 1.0 C B:THR79 3.8 11.4 1.0 HD3 B:LYS101 3.9 21.4 1.0 O B:HOH591 3.9 37.4 1.0 MG B:MG302 4.1 13.3 1.0 H B:LEU53 4.1 14.3 1.0 CB B:ALA80 4.1 15.1 1.0 OD2 B:ASP52 4.1 14.2 1.0 CB B:THR79 4.2 11.5 1.0 H B:MET54 4.2 15.4 1.0 CA B:ALA80 4.3 16.1 1.0 HB B:THR79 4.3 13.8 1.0 O B:ILE78 4.4 12.9 1.0 HB2 B:MET54 4.4 19.6 0.4 HE2 B:LYS101 4.4 14.2 1.0 HB2 B:MET54 4.5 19.2 0.6 HG1 B:THR79 4.5 16.8 1.0 O B:HOH513 4.5 18.7 1.0 N B:THR79 4.5 12.6 1.0 O B:HOH587 4.5 29.4 1.0 HB2 B:LYS101 4.6 19.5 1.0 HG3 B:LYS101 4.7 16.8 1.0 CG B:LYS101 4.7 14.0 1.0 H B:LYS81 4.8 17.9 1.0 HA B:ASP52 4.8 11.4 1.0 HA B:ALA80 4.8 19.2 1.0 C B:ILE78 4.9 11.8 1.0 HG2 B:MET54 4.9 23.4 0.6 CB B:ASP52 4.9 12.8 1.0 O B:HOH511 4.9 14.8 1.0 N B:LEU53 4.9 12.0 1.0 N B:MET54 5.0 12.9 1.0

Fluorine binding site 9 out of 24 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:16.8 occ:1.00 F3 B:BEF301 0.0 16.8 1.0 BE B:BEF301 1.6 16.5 1.0 MG B:MG302 2.0 13.3 1.0 HB2 B:MET54 2.4 19.6 0.4 HB2 B:MET54 2.4 19.2 0.6 F1 B:BEF301 2.4 13.4 1.0 F2 B:BEF301 2.5 14.8 1.0 OD1 B:ASP52 2.5 13.9 1.0 H B:MET54 2.7 15.4 1.0 OD2 B:ASP52 2.7 14.2 1.0 O B:HOH435 2.8 15.3 1.0 CG B:ASP52 2.9 13.2 1.0 O B:HOH511 3.0 14.8 1.0 O B:MET54 3.0 15.9 1.0 O B:HOH591 3.1 37.4 1.0 CB B:MET54 3.2 16.4 0.4 CB B:MET54 3.3 16.0 0.6 N B:MET54 3.3 12.9 1.0 HZ2 B:LYS101 3.5 17.2 1.0 CA B:MET54 3.5 13.7 0.4 O B:HOH555 3.5 33.6 1.0 CA B:MET54 3.6 14.0 0.6 C B:MET54 3.6 12.2 1.0 O B:HOH575 3.7 33.1 1.0 HG2 B:MET54 3.7 23.4 0.6 H B:LEU53 3.8 14.3 1.0 HG3 B:MET54 3.9 24.1 0.4 HB3 B:MET54 3.9 19.6 0.4 HB3 B:MET54 3.9 19.2 0.6 CG B:MET54 4.0 20.1 0.4 CG B:MET54 4.0 19.5 0.6 OD1 B:ASP9 4.1 14.3 1.0 O B:HOH589 4.1 44.8 1.0 NZ B:LYS101 4.3 14.3 1.0 HG3 B:MET54 4.3 23.4 0.6 HZ1 B:LYS101 4.4 17.2 1.0 N B:LEU53 4.4 12.0 1.0 C B:LEU53 4.4 13.5 1.0 CB B:ASP52 4.5 12.8 1.0 O B:HOH587 4.5 29.4 1.0 HA B:MET54 4.5 16.4 1.0 H B:ALA80 4.5 19.2 1.0 SD B:MET54 4.6 27.4 0.4 HA B:THR79 4.6 13.9 1.0 HZ3 B:LYS101 4.6 17.2 1.0 HB2 B:LEU53 4.8 13.6 1.0 HB3 B:ASP52 4.8 15.4 1.0 HB2 B:ASP52 4.9 15.4 1.0 N B:LEU55 4.9 14.1 1.0 HG2 B:MET54 4.9 24.1 0.4 CA B:LEU53 4.9 10.8 1.0 HG B:LEU55 5.0 15.3 1.0 OG1 B:THR79 5.0 14.0 1.0

Fluorine binding site 10 out of 24 in the Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg within 5.0Å range: probe atom residue distance (Å) B Occ D:F301 b:21.5 occ:1.00 F1 D:BEF301 0.0 21.5 1.0 BE D:BEF301 1.5 17.9 1.0 HZ2 D:LYS101 1.9 24.9 1.0 H D:ALA80 2.5 24.2 1.0 F2 D:BEF301 2.5 20.4 1.0 F3 D:BEF301 2.5 22.3 1.0 OD1 D:ASP52 2.5 19.8 1.0 HA D:THR79 2.5 19.9 1.0 NZ D:LYS101 2.8 20.8 1.0 O D:HOH507 2.8 35.5 1.0 HD2 D:LYS101 2.9 20.6 1.0 HG1 D:THR79 3.1 24.5 1.0 HZ1 D:LYS101 3.2 24.9 1.0 N D:ALA80 3.2 20.1 1.0 HE3 D:LYS101 3.2 21.0 1.0 HZ3 D:LYS101 3.3 24.9 1.0 CE D:LYS101 3.4 17.5 1.0 CA D:THR79 3.4 16.6 1.0 CD D:LYS101 3.6 17.2 1.0 O D:HOH421 3.6 20.3 1.0 CG D:ASP52 3.6 25.0 1.0 C D:THR79 3.8 18.4 1.0 OG1 D:THR79 3.8 20.4 1.0 HB3 D:ALA80 4.0 34.3 1.0 HB2 D:ALA80 4.0 34.3 1.0 MG D:MG302 4.0 20.2 1.0 H D:LEU53 4.0 22.9 1.0 HD3 D:LYS101 4.0 20.6 1.0 OD2 D:ASP52 4.1 19.3 1.0 CB D:THR79 4.1 16.9 1.0 H D:MET54 4.1 26.4 1.0 O D:ILE78 4.2 15.3 1.0 CB D:ALA80 4.3 28.6 1.0 HE2 D:LYS101 4.3 21.0 1.0 HB D:THR79 4.3 20.3 1.0 O D:HOH466 4.3 27.4 1.0 CA D:ALA80 4.3 20.4 1.0 HB2 D:MET54 4.4 27.3 1.0 N D:THR79 4.4 16.2 1.0 H D:LYS81 4.7 24.8 1.0 HG3 D:LYS101 4.7 21.2 1.0 C D:ILE78 4.7 15.8 1.0 CG D:LYS101 4.8 17.7 1.0 HA D:ASP52 4.8 20.2 1.0 CB D:ASP52 4.8 18.7 1.0 OE1 D:GLU8 4.8 20.6 1.0 N D:LEU53 4.9 19.1 1.0 HB2 D:LEU53 4.9 23.8 1.0 HG2 D:MET54 4.9 35.1 1.0 HA D:ALA80 4.9 24.5 1.0 HB2 D:LYS101 4.9 22.0 1.0 HB2 D:ASP52 4.9 22.4 1.0 O D:THR79 5.0 17.7 1.0 N D:MET54 5.0 22.0 1.0

Y.Wen, Z.Ouyang. Crystal Structure of Staphylococcus Aureus Response Regulator Arlr Receiver Domain in Complex with BEF3 and Mg To Be Published.