Fluorine in PDB 7lcm: Receiver Domain of Rssb Bound to Beryllofluoride

The structure of Receiver Domain of Rssb Bound to Beryllofluoride, PDB code: 7lcm was solved by A.M.Deaconescu, J.Schwartz, J.Son, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.12 / 1.91
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	46.329, 46.329, 95.891, 90, 90, 120
R / Rfree (%)	20.2 / 24.5

The structure of Receiver Domain of Rssb Bound to Beryllofluoride also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Receiver Domain of Rssb Bound to Beryllofluoride (pdb code 7lcm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Receiver Domain of Rssb Bound to Beryllofluoride, PDB code: 7lcm:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Receiver Domain of Rssb Bound to Beryllofluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Receiver Domain of Rssb Bound to Beryllofluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F202 b:38.2 occ:1.00 F1 A:BEF202 0.0 38.2 1.0 BE A:BEF202 1.5 37.5 1.0 F2 A:BEF202 2.5 36.0 1.0 F3 A:BEF202 2.6 36.8 1.0 OD1 A:ASP58 2.6 36.0 1.0 NZ A:LYS108 2.9 36.2 1.0 N A:ALA87 2.9 37.0 1.0 CE A:LYS108 3.3 40.4 1.0 CD A:LYS108 3.4 39.5 1.0 CA A:SER86 3.5 39.7 1.0 CG A:ASP58 3.7 36.3 1.0 C A:SER86 3.7 41.1 1.0 O A:HOH314 3.7 36.8 1.0 OG A:SER86 3.7 39.7 1.0 CB A:ALA87 3.8 42.9 1.0 CA A:ALA87 4.0 43.5 1.0 OD2 A:ASP58 4.0 36.4 1.0 MG A:MG201 4.1 34.1 1.0 CB A:SER86 4.1 38.5 1.0 O A:ILE85 4.3 38.8 1.0 CG A:LYS108 4.5 41.2 1.0 N A:SER86 4.6 38.4 1.0 N A:ILE59 4.8 36.4 1.0 O A:SER86 4.9 41.2 1.0 C A:ALA87 4.9 44.8 1.0 C A:ILE85 4.9 39.4 1.0 N A:THR88 4.9 44.0 1.0 CB A:ASP58 4.9 35.3 1.0 N A:ALA60 4.9 37.2 1.0 O A:HOH316 4.9 45.1 1.0 OE1 A:GLU14 5.0 36.0 1.0 O A:HOH326 5.0 36.9 1.0

Fluorine binding site 2 out of 3 in the Receiver Domain of Rssb Bound to Beryllofluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Receiver Domain of Rssb Bound to Beryllofluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F202 b:36.0 occ:1.00 F2 A:BEF202 0.0 36.0 1.0 BE A:BEF202 1.5 37.5 1.0 MG A:MG201 2.0 34.1 1.0 F1 A:BEF202 2.5 38.2 1.0 F3 A:BEF202 2.6 36.8 1.0 OD2 A:ASP58 2.8 36.4 1.0 O A:ALA60 2.8 36.8 1.0 O A:HOH326 2.8 36.9 1.0 O A:HOH314 2.8 36.8 1.0 OD1 A:ASP58 2.8 36.0 1.0 CG A:ASP58 3.1 36.3 1.0 CB A:ALA60 3.3 41.2 1.0 N A:ALA60 3.4 37.2 1.0 C A:ALA60 3.6 36.9 1.0 CA A:ALA60 3.6 35.9 1.0 OD1 A:ASP15 4.0 36.9 1.0 NZ A:LYS108 4.2 36.2 1.0 C A:ILE59 4.5 37.5 1.0 N A:ILE59 4.5 36.4 1.0 CB A:ASP58 4.6 35.3 1.0 OE2 A:GLU16 4.7 49.5 1.0 N A:MET61 4.9 37.7 1.0

Fluorine binding site 3 out of 3 in the Receiver Domain of Rssb Bound to Beryllofluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Receiver Domain of Rssb Bound to Beryllofluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F202 b:36.8 occ:1.00 F3 A:BEF202 0.0 36.8 1.0 BE A:BEF202 1.5 37.5 1.0 F1 A:BEF202 2.6 38.2 1.0 F2 A:BEF202 2.6 36.0 1.0 OG A:SER86 2.6 39.7 1.0 N A:ALA60 2.8 37.2 1.0 OD1 A:ASP58 2.9 36.0 1.0 N A:ILE59 3.3 36.4 1.0 CB A:SER86 3.5 38.5 1.0 CB A:ILE59 3.5 36.7 1.0 CA A:ILE59 3.6 36.4 1.0 C A:ILE59 3.6 37.5 1.0 CB A:ALA60 3.6 41.2 1.0 CA A:ALA60 3.8 35.9 1.0 CG A:ASP58 3.8 36.3 1.0 CA A:SER86 3.9 39.7 1.0 N A:ALA87 3.9 37.0 1.0 OD2 A:ASP58 4.2 36.4 1.0 O A:ALA60 4.4 36.8 1.0 MG A:MG201 4.4 34.1 1.0 C A:SER86 4.4 41.1 1.0 C A:ASP58 4.5 37.7 1.0 CG2 A:ILE59 4.5 36.5 1.0 N A:THR88 4.5 44.0 1.0 C A:ALA60 4.5 36.9 1.0 CG1 A:ILE59 4.6 36.7 1.0 O A:ILE59 4.8 35.5 1.0 CA A:ASP58 4.8 32.7 1.0 CB A:ASP58 4.9 35.3 1.0 CA A:ALA87 4.9 43.5 1.0 CB A:THR88 5.0 48.5 1.0

J.Schwartz, J.Son, C.Brugger, A.M.Deaconescu. Phospho-Dependent Signaling During the General Stress Response By the Atypical Response Regulator and Clpxp Adaptor Rssb. Protein Sci. V. 30 899 2021.
ISSN: ESSN 1469-896X
PubMed: 33599047
DOI: 10.1002/PRO.4047