Fluorine in PDB 6ebr: Activation of RR02 Bound to BEF3

The structure of Activation of RR02 Bound to BEF3, PDB code: 6ebr was solved by A.Riboldi-Tunnicliffe, S.Panjikar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.35 / 1.82
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	74.705, 93.404, 37.611, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 19.9

The structure of Activation of RR02 Bound to BEF3 also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Fluorine atom in the Activation of RR02 Bound to BEF3 (pdb code 6ebr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Activation of RR02 Bound to BEF3, PDB code: 6ebr:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Activation of RR02 Bound to BEF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Activation of RR02 Bound to BEF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:20.3 occ:1.00 F1 A:BEF201 0.0 20.3 1.0 BE A:BEF201 1.5 19.5 1.0 F2 A:BEF201 2.5 21.6 1.0 F3 A:BEF201 2.5 22.5 1.0 OD1 A:ASP52 2.5 25.1 1.0 NZ A:LYS101 2.9 23.7 1.0 N A:ALA80 2.9 23.6 1.0 O A:HOH402 3.0 39.2 1.0 CA A:SER79 3.3 21.0 1.0 CE A:LYS101 3.4 21.7 1.0 OG A:SER79 3.5 22.9 1.0 C A:SER79 3.6 26.9 1.0 CD A:LYS101 3.6 23.0 1.0 CG A:ASP52 3.7 26.5 1.0 CB A:SER79 3.8 21.3 1.0 O A:HOH316 3.9 41.6 1.0 CB A:ALA80 4.0 25.8 1.0 O A:HOH339 4.0 26.1 1.0 CA A:ALA80 4.0 28.1 1.0 O A:LEU78 4.2 16.7 1.0 MN A:MN202 4.3 21.3 1.0 OD2 A:ASP52 4.3 19.5 1.0 CG A:LYS101 4.5 21.1 1.0 N A:SER79 4.5 17.4 1.0 O A:SER79 4.8 22.6 1.0 C A:LEU78 4.8 16.7 1.0 N A:LEU53 4.8 19.2 1.0 CB A:ASP52 4.8 17.5 1.0 N A:LYS81 4.9 25.6 1.0 CG A:MET54 4.9 31.7 1.0 N A:MET54 5.0 21.9 1.0 OD2 A:ASP8 5.0 23.3 1.0

Fluorine binding site 2 out of 3 in the Activation of RR02 Bound to BEF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Activation of RR02 Bound to BEF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:21.6 occ:1.00 F2 A:BEF201 0.0 21.6 1.0 BE A:BEF201 1.6 19.5 1.0 MN A:MN202 2.1 21.3 1.0 F3 A:BEF201 2.4 22.5 1.0 F1 A:BEF201 2.5 20.3 1.0 OD1 A:ASP52 2.5 25.1 1.0 OD2 A:ASP52 3.0 19.5 1.0 CG A:ASP52 3.1 26.5 1.0 CB A:MET54 3.1 27.6 1.0 O A:MET54 3.2 25.1 1.0 O A:HOH394 3.2 44.5 1.0 O A:HOH339 3.2 26.1 1.0 N A:MET54 3.4 21.9 1.0 O A:HOH402 3.4 39.2 1.0 CG A:MET54 3.5 31.7 1.0 CA A:MET54 3.6 26.4 1.0 C A:MET54 3.8 23.0 1.0 NZ A:LYS101 4.1 23.7 1.0 OD1 A:ASP9 4.3 25.5 1.0 N A:LEU53 4.4 19.2 1.0 SD A:MET54 4.5 40.4 1.0 CB A:ASP52 4.5 17.5 1.0 C A:LEU53 4.6 22.3 1.0 O A:HOH316 4.6 41.6 1.0 OG A:SER79 4.8 22.9 1.0 OE1 A:GLU10 5.0 34.3 1.0

Fluorine binding site 3 out of 3 in the Activation of RR02 Bound to BEF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Activation of RR02 Bound to BEF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:22.5 occ:1.00 F3 A:BEF201 0.0 22.5 1.0 BE A:BEF201 1.5 19.5 1.0 F2 A:BEF201 2.4 21.6 1.0 F1 A:BEF201 2.5 20.3 1.0 OD1 A:ASP52 2.5 25.1 1.0 OG A:SER79 2.7 22.9 1.0 N A:MET54 2.8 21.9 1.0 N A:LEU53 2.9 19.2 1.0 CB A:SER79 3.3 21.3 1.0 CA A:LEU53 3.4 19.8 1.0 CB A:LEU53 3.4 21.4 1.0 CG A:MET54 3.4 31.7 1.0 CG A:ASP52 3.4 26.5 1.0 C A:LEU53 3.5 22.3 1.0 CB A:MET54 3.8 27.6 1.0 CA A:SER79 3.8 21.0 1.0 CA A:MET54 3.8 26.4 1.0 C A:ASP52 4.0 20.8 1.0 OD2 A:ASP52 4.0 19.5 1.0 N A:ALA80 4.1 23.6 1.0 MN A:MN202 4.3 21.3 1.0 CG A:LEU53 4.3 24.3 1.0 CA A:ASP52 4.3 17.0 1.0 CB A:ASP52 4.5 17.5 1.0 O A:MET54 4.5 25.1 1.0 C A:SER79 4.5 26.9 1.0 CG A:LYS81 4.5 32.1 1.0 C A:MET54 4.6 23.0 1.0 O A:LEU78 4.6 16.7 1.0 O A:LEU53 4.7 22.3 1.0 SD A:MET54 4.8 40.4 1.0 O A:HOH402 4.8 39.2 1.0 NZ A:LYS101 4.9 23.7 1.0 N A:LYS81 4.9 25.6 1.0 CD1 A:LEU53 4.9 27.6 1.0 N A:SER79 5.0 17.4 1.0

A.Riboldi-Tunnicliffe, A.Riboldi-Tunnicliffe, S.Panjikar. N/A N/A.