Fluorine in PDB 8t85: Structure of Rssb Bound to Beryllofluoride

The structure of Structure of Rssb Bound to Beryllofluoride, PDB code: 8t85 was solved by C.Brugger, J.Schwartz, A.M.Deaconescu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.99 / 2.38
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	41.366, 119.035, 135.973, 90, 90, 90
R / Rfree (%)	22.2 / 27.8

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

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Structure of Rssb Bound to Beryllofluoride (pdb code 8t85). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure of Rssb Bound to Beryllofluoride, PDB code: 8t85:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structure 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 Structure of Rssb Bound to Beryllofluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F405 b:51.3 occ:1.00 F1 A:BEF405 0.0 51.3 1.0 BE A:BEF405 1.5 45.9 1.0 H A:ALA87 1.9 43.2 1.0 OD1 A:ASP58 2.3 46.0 1.0 HZ2 A:LYS108 2.4 40.8 1.0 F2 A:BEF405 2.5 43.7 1.0 F3 A:BEF405 2.5 48.4 1.0 HA A:SER86 2.7 48.1 1.0 N A:ALA87 2.8 35.9 1.0 HD2 A:LYS108 3.0 48.4 1.0 HG A:SER86 3.0 44.1 1.0 HE3 A:LYS108 3.1 56.4 1.0 HB3 A:ALA87 3.1 50.5 1.0 NZ A:LYS108 3.1 34.0 1.0 HZ1 A:LYS108 3.4 40.8 1.0 CG A:ASP58 3.4 40.1 1.0 CE A:LYS108 3.4 47.0 1.0 HB2 A:ALA87 3.5 50.5 1.0 CA A:SER86 3.5 40.0 1.0 CB A:ALA87 3.6 42.0 1.0 C A:SER86 3.6 39.3 1.0 O A:HOH525 3.6 49.7 1.0 CD A:LYS108 3.7 40.2 1.0 CA A:ALA87 3.7 46.8 1.0 OG A:SER86 3.7 36.7 1.0 HZ3 A:LYS108 3.8 40.8 1.0 OD2 A:ASP58 3.9 36.2 1.0 MG A:MG404 4.0 50.6 1.0 CB A:SER86 4.1 34.5 1.0 H A:ALA60 4.2 39.0 1.0 H A:ILE59 4.2 41.9 1.0 HD3 A:LYS108 4.3 48.4 1.0 HE2 A:LYS108 4.4 56.4 1.0 HB2 A:SER86 4.4 41.5 1.0 HB3 A:ALA60 4.4 41.0 1.0 H A:THR88 4.4 47.0 1.0 HA A:ALA87 4.4 56.2 1.0 O A:ILE85 4.5 35.1 1.0 HB1 A:ALA87 4.5 50.5 1.0 HG3 A:LYS108 4.6 49.3 1.0 C A:ALA87 4.6 40.3 1.0 HB2 A:ASP58 4.6 50.0 1.0 CB A:ASP58 4.6 41.6 1.0 N A:SER86 4.6 35.3 1.0 N A:THR88 4.7 39.1 1.0 HA A:ASP58 4.8 47.3 1.0 O A:SER86 4.8 43.1 1.0 CG A:LYS108 4.8 41.0 1.0 OE1 A:GLU14 5.0 38.7 1.0 N A:ILE59 5.0 34.8 1.0 HB3 A:SER86 5.0 41.5 1.0

Fluorine binding site 2 out of 3 in the Structure 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 Structure of Rssb Bound to Beryllofluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F405 b:43.7 occ:1.00 F2 A:BEF405 0.0 43.7 1.0 BE A:BEF405 1.5 45.9 1.0 MG A:MG404 1.8 50.6 1.0 OD2 A:ASP58 2.4 36.2 1.0 F1 A:BEF405 2.5 51.3 1.0 OD1 A:ASP58 2.5 46.0 1.0 F3 A:BEF405 2.6 48.4 1.0 HB3 A:ALA60 2.6 41.0 1.0 O A:HOH525 2.7 49.7 1.0 O A:ALA60 2.8 37.0 1.0 CG A:ASP58 2.8 40.1 1.0 O A:HOH528 3.0 34.7 1.0 H A:ALA60 3.1 39.0 1.0 CB A:ALA60 3.5 34.1 1.0 N A:ALA60 3.6 32.5 1.0 C A:ALA60 3.6 40.6 1.0 HZ2 A:LYS108 3.7 40.8 1.0 CA A:ALA60 3.8 44.4 1.0 OD1 A:ASP15 4.0 51.8 1.0 HB1 A:ALA60 4.1 41.0 1.0 HB2 A:ALA60 4.1 41.0 1.0 HG A:SER86 4.2 44.1 1.0 H A:ALA87 4.3 43.2 1.0 H A:ILE59 4.3 41.9 1.0 CB A:ASP58 4.3 41.6 1.0 HZ1 A:LYS108 4.4 40.8 1.0 NZ A:LYS108 4.5 34.0 1.0 HG3 A:MET61 4.5 53.6 1.0 C A:ILE59 4.7 42.6 1.0 HB2 A:ASP58 4.7 50.0 1.0 N A:ILE59 4.7 34.8 1.0 HB3 A:ALA87 4.7 50.5 1.0 HB3 A:ASP58 4.7 50.0 1.0 HA A:ALA60 4.7 53.4 1.0 HA A:SER86 4.7 48.1 1.0 CG A:ASP15 4.8 45.5 1.0 OE2 A:GLU14 4.9 48.8 1.0 OD2 A:ASP15 4.9 41.0 1.0 N A:MET61 4.9 40.2 1.0 HG2 A:MET61 5.0 53.6 1.0

Fluorine binding site 3 out of 3 in the Structure 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 Structure of Rssb Bound to Beryllofluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F405 b:48.4 occ:1.00 F3 A:BEF405 0.0 48.4 1.0 BE A:BEF405 1.5 45.9 1.0 H A:ALA60 1.9 39.0 1.0 HG A:SER86 1.9 44.1 1.0 OD1 A:ASP58 2.1 46.0 1.0 H A:ILE59 2.4 41.9 1.0 F1 A:BEF405 2.5 51.3 1.0 F2 A:BEF405 2.6 43.7 1.0 N A:ALA60 2.7 32.5 1.0 OG A:SER86 2.7 36.7 1.0 HB A:ILE59 2.7 43.3 1.0 N A:ILE59 3.0 34.8 1.0 CG A:ASP58 3.0 40.1 1.0 HB3 A:ALA60 3.1 41.0 1.0 HA A:SER86 3.3 48.1 1.0 H A:ALA87 3.4 43.2 1.0 HB2 A:SER86 3.4 41.5 1.0 OD2 A:ASP58 3.4 36.2 1.0 CA A:ILE59 3.5 35.9 1.0 C A:ILE59 3.5 42.6 1.0 CB A:SER86 3.5 34.5 1.0 CB A:ILE59 3.5 36.0 1.0 CB A:ALA60 3.6 34.1 1.0 CA A:ALA60 3.7 44.4 1.0 HB2 A:ALA60 3.7 41.0 1.0 CA A:SER86 3.9 40.0 1.0 N A:ALA87 4.0 35.9 1.0 C A:ASP58 4.0 40.1 1.0 HA A:ASP58 4.0 47.3 1.0 HG22 A:ILE59 4.1 52.9 1.0 MG A:MG404 4.1 50.6 1.0 O A:ALA60 4.1 37.0 1.0 HB A:THR88 4.1 44.1 1.0 CB A:ASP58 4.2 41.6 1.0 H A:THR88 4.2 47.0 1.0 CA A:ASP58 4.3 39.3 1.0 C A:ALA60 4.3 40.6 1.0 HB3 A:SER86 4.4 41.5 1.0 CG2 A:ILE59 4.4 44.0 1.0 HA A:ILE59 4.4 43.2 1.0 C A:SER86 4.4 39.3 1.0 HA A:ALA60 4.5 53.4 1.0 HD12 A:ILE59 4.5 50.6 1.0 HG13 A:ILE59 4.6 42.0 1.0 HB1 A:ALA60 4.6 41.0 1.0 HZ2 A:LYS108 4.6 40.8 1.0 CG1 A:ILE59 4.6 35.0 1.0 O A:ILE59 4.7 40.0 1.0 HB3 A:ALA87 4.7 50.5 1.0 HB2 A:ASP58 4.7 50.0 1.0 N A:THR88 4.7 39.1 1.0 HE3 A:LYS108 4.8 56.4 1.0 HB3 A:ASP58 4.9 50.0 1.0 O A:ILE85 4.9 35.1 1.0 HG21 A:ILE59 5.0 52.9 1.0 O A:HOH525 5.0 49.7 1.0

C.Brugger, J.Schwartz, S.Novick, S.Tong, J.R.Hoskins, N.Majdalani, R.Kim, M.Filipovski, S.Wickner, S.Gottesman, P.R.Griffin, A.M.Deaconescu. Structure of Phosphorylated-Like Rssb, the Adaptor Delivering Sigma S to the Clpxp Proteolytic Machinery, Reveals An Interface Switch For Activation. J.Biol.Chem. V. 299 05440 2023.
ISSN: ESSN 1083-351X
PubMed: 37949227
DOI: 10.1016/J.JBC.2023.105440