Fluorine in PDB 6br7: Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii

The structure of Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii, PDB code: 6br7 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)	44.04 / 1.86
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	52.163, 52.163, 197.566, 90.00, 90.00, 120.00
R / Rfree (%)	14.9 / 17.8

The structure of Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii (pdb code 6br7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii, PDB code: 6br7:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:13.2 occ:1.00 F1 A:BEF301 0.0 13.2 1.0 BE A:BEF301 1.5 19.3 1.0 HG1 A:THR85 1.8 16.4 1.0 H A:MET60 2.1 16.9 1.0 F3 A:BEF301 2.5 14.7 1.0 F2 A:BEF301 2.5 13.7 1.0 H A:VAL59 2.5 16.5 1.0 OG1 A:THR85 2.6 13.7 1.0 OD1 A:ASP58 2.7 14.7 1.0 HB A:VAL59 2.7 14.9 1.0 N A:MET60 2.9 14.1 1.0 HE2 A:MET60 3.0 33.7 1.0 HG3 A:MET60 3.1 28.5 1.0 H A:ALA86 3.1 16.5 1.0 HB2 A:MET60 3.2 20.3 1.0 N A:VAL59 3.3 13.8 1.0 HG3 A:ARG87 3.3 23.1 1.0 HA A:THR85 3.4 15.7 1.0 HE3 A:MET60 3.4 33.7 1.0 HB A:THR85 3.4 17.5 1.0 CB A:THR85 3.5 14.6 1.0 CB A:VAL59 3.5 12.4 1.0 CE A:MET60 3.6 28.1 1.0 CG A:ASP58 3.6 16.9 1.0 CA A:VAL59 3.7 11.2 1.0 CB A:MET60 3.7 16.9 1.0 C A:VAL59 3.7 10.7 1.0 CG A:MET60 3.8 23.7 1.0 H A:ARG87 3.8 16.3 1.0 N A:ALA86 3.8 13.8 1.0 CA A:THR85 3.9 13.1 1.0 CA A:MET60 3.9 14.5 1.0 OD2 A:ASP58 4.0 12.8 1.0 HZ2 A:LYS107 4.1 22.9 1.0 HG23 A:VAL59 4.2 17.9 1.0 MG A:MG302 4.3 16.6 1.0 HB3 A:ALA86 4.3 19.8 1.0 CG A:ARG87 4.3 19.2 1.0 HA A:ASP58 4.4 12.8 1.0 HG12 A:VAL59 4.4 22.3 1.0 C A:THR85 4.4 14.5 1.0 HE1 A:MET60 4.4 33.7 1.0 CG2 A:VAL59 4.4 15.0 1.0 C A:ASP58 4.4 8.7 1.0 N A:ARG87 4.5 13.6 1.0 O A:MET60 4.5 15.5 1.0 HB2 A:ARG87 4.5 26.0 1.0 O A:HOH548 4.5 27.4 1.0 SD A:MET60 4.5 27.6 1.0 HD3 A:ARG87 4.6 33.9 1.0 CG1 A:VAL59 4.6 18.6 1.0 HG2 A:MET60 4.6 28.5 1.0 HA A:MET60 4.6 17.4 1.0 HA A:VAL59 4.6 13.4 1.0 HB3 A:MET60 4.6 20.3 1.0 C A:MET60 4.6 17.3 1.0 HG21 A:VAL59 4.7 17.9 1.0 HD2 A:ARG87 4.7 33.9 1.0 CA A:ASP58 4.7 10.7 1.0 CB A:ASP58 4.8 13.2 1.0 CA A:ALA86 4.8 17.0 1.0 CD A:ARG87 4.8 28.3 1.0 CG2 A:THR85 4.8 11.4 1.0 HG2 A:ARG87 4.9 23.1 1.0 CB A:ARG87 4.9 21.6 1.0 NZ A:LYS107 4.9 19.1 1.0 O A:VAL59 4.9 15.5 1.0 CB A:ALA86 4.9 16.5 1.0 HG21 A:THR85 5.0 13.7 1.0 O A:LEU84 5.0 13.5 1.0

Fluorine binding site 2 out of 6 in the Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:13.7 occ:1.00 F2 A:BEF301 0.0 13.7 1.0 BE A:BEF301 1.6 19.3 1.0 HZ2 A:LYS107 2.0 22.9 1.0 H A:ALA86 2.1 16.5 1.0 F3 A:BEF301 2.5 14.7 1.0 F1 A:BEF301 2.5 13.2 1.0 O A:HOH548 2.7 27.4 1.0 HA A:THR85 2.9 15.7 1.0 N A:ALA86 2.9 13.8 1.0 HD2 A:LYS107 2.9 17.0 1.0 NZ A:LYS107 2.9 19.1 1.0 OD1 A:ASP58 2.9 14.7 1.0 HB3 A:ALA86 3.0 19.8 1.0 HG1 A:THR85 3.1 16.4 1.0 HZ3 A:LYS107 3.3 22.9 1.0 HB2 A:ALA86 3.3 19.8 1.0 HZ1 A:LYS107 3.4 22.9 1.0 CB A:ALA86 3.5 16.5 1.0 HE3 A:MET60 3.6 33.7 1.0 CA A:THR85 3.6 13.1 1.0 CE A:LYS107 3.6 14.7 1.0 CD A:LYS107 3.7 14.2 1.0 HE2 A:MET60 3.7 33.7 1.0 HE3 A:LYS107 3.7 17.6 1.0 C A:THR85 3.7 14.5 1.0 CA A:ALA86 3.8 17.0 1.0 OG1 A:THR85 3.8 13.7 1.0 O A:HOH414 3.8 16.2 1.0 CG A:ASP58 3.9 16.9 1.0 CE A:MET60 4.0 28.1 1.0 HD3 A:LYS107 4.1 17.0 1.0 OD2 A:ASP58 4.1 12.8 1.0 MG A:MG302 4.2 16.6 1.0 CB A:THR85 4.2 14.6 1.0 O A:HOH484 4.3 28.1 1.0 O A:HOH573 4.3 39.2 1.0 H A:MET60 4.3 16.9 1.0 H A:VAL59 4.3 16.5 1.0 H A:ARG87 4.3 16.3 1.0 HB2 A:MET60 4.4 20.3 1.0 HB1 A:ALA86 4.4 19.8 1.0 HE1 A:MET60 4.4 33.7 1.0 HA A:ALA86 4.5 20.4 1.0 HB A:THR85 4.5 17.5 1.0 HE2 A:LYS107 4.6 17.6 1.0 C A:ALA86 4.7 17.0 1.0 O A:LEU84 4.7 13.5 1.0 HG3 A:LYS107 4.8 14.9 1.0 N A:ARG87 4.8 13.6 1.0 N A:THR85 4.8 11.9 1.0 CG A:LYS107 4.8 12.4 1.0 O A:THR85 4.9 13.1 1.0 HB2 A:LYS107 4.9 19.1 1.0 HG3 A:ARG87 4.9 23.1 1.0 O A:HOH579 4.9 40.4 1.0

Fluorine binding site 3 out of 6 in the Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:14.7 occ:1.00 F3 A:BEF301 0.0 14.7 1.0 BE A:BEF301 1.5 19.3 1.0 MG A:MG302 2.1 16.6 1.0 HB2 A:MET60 2.3 20.3 1.0 F1 A:BEF301 2.5 13.2 1.0 F2 A:BEF301 2.5 13.7 1.0 HE3 A:MET60 2.7 33.7 1.0 O A:HOH414 2.9 16.2 1.0 OD2 A:ASP58 2.9 12.8 1.0 O A:HOH453 2.9 13.5 1.0 H A:MET60 2.9 16.9 1.0 OD1 A:ASP58 3.0 14.7 1.0 O A:HOH548 3.1 27.4 1.0 O A:MET60 3.1 15.5 1.0 CB A:MET60 3.2 16.9 1.0 CG A:ASP58 3.3 16.9 1.0 HZ2 A:LYS107 3.5 22.9 1.0 N A:MET60 3.5 14.1 1.0 CE A:MET60 3.6 28.1 1.0 HE2 A:MET60 3.6 33.7 1.0 CA A:MET60 3.7 14.5 1.0 HB3 A:MET60 3.8 20.3 1.0 C A:MET60 3.8 17.3 1.0 HG3 A:MET60 3.9 28.5 1.0 O A:HOH575 4.0 44.4 1.0 CG A:MET60 4.1 23.7 1.0 OD1 A:ASP15 4.1 18.3 1.0 H A:VAL59 4.1 16.5 1.0 HG1 A:THR85 4.1 16.4 1.0 HE1 A:MET60 4.2 33.7 1.0 NZ A:LYS107 4.2 19.1 1.0 HZ1 A:LYS107 4.3 22.9 1.0 H A:ALA86 4.3 16.5 1.0 HZ3 A:LYS107 4.5 22.9 1.0 O A:HOH549 4.5 30.4 1.0 SD A:MET60 4.5 27.6 1.0 HB3 A:ALA86 4.6 19.8 1.0 HA A:MET60 4.6 17.4 1.0 N A:VAL59 4.7 13.8 1.0 C A:VAL59 4.7 10.7 1.0 CB A:ASP58 4.7 13.2 1.0 HA A:THR85 4.8 15.7 1.0 HG2 A:MET60 4.9 28.5 1.0 HB A:VAL59 4.9 14.9 1.0 OG1 A:THR85 5.0 13.7 1.0 OE2 A:GLU14 5.0 14.5 1.0

Fluorine binding site 4 out of 6 in the Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:10.5 occ:1.00 F1 B:BEF301 0.0 10.5 1.0 BE B:BEF301 1.5 13.4 1.0 HG1 B:THR85 1.8 13.3 1.0 H B:MET60 2.0 14.1 1.0 F3 B:BEF301 2.5 9.6 1.0 H B:VAL59 2.5 12.1 1.0 F2 B:BEF301 2.5 10.8 1.0 OG1 B:THR85 2.6 11.1 1.0 HB B:VAL59 2.6 13.2 1.0 HG2 B:MET60 2.7 27.8 1.0 OD1 B:ASP58 2.7 11.4 1.0 N B:MET60 2.9 11.7 1.0 HG2 B:ARG87 3.2 21.5 1.0 H B:ALA86 3.2 14.1 1.0 HB2 B:MET60 3.2 19.6 1.0 N B:VAL59 3.3 10.1 1.0 HA B:THR85 3.4 14.8 1.0 HB B:THR85 3.5 19.6 1.0 CB B:VAL59 3.5 11.0 1.0 CB B:THR85 3.5 16.4 1.0 CG B:MET60 3.6 23.2 1.0 CA B:VAL59 3.6 11.1 1.0 CB B:MET60 3.7 16.3 1.0 CG B:ASP58 3.7 11.0 1.0 C B:VAL59 3.7 10.2 1.0 HG3 B:ARG87 3.8 21.5 1.0 H B:ARG87 3.8 18.2 1.0 CA B:MET60 3.8 13.9 1.0 CG B:ARG87 3.9 17.9 1.0 N B:ALA86 3.9 11.8 1.0 CA B:THR85 3.9 12.4 1.0 HG3 B:MET60 4.0 27.8 1.0 OD2 B:ASP58 4.1 10.5 1.0 O B:HOH586 4.2 33.3 1.0 HG12 B:VAL59 4.2 20.4 1.0 HG23 B:VAL59 4.2 16.0 1.0 MG B:MG302 4.2 12.2 1.0 HZ1 B:LYS107 4.3 16.7 1.0 HB3 B:ALA86 4.4 19.2 1.0 HA B:ASP58 4.4 11.3 1.0 CG2 B:VAL59 4.4 13.3 1.0 C B:ASP58 4.4 9.7 1.0 C B:THR85 4.4 11.6 1.0 N B:ARG87 4.5 15.2 1.0 CG1 B:VAL59 4.5 17.0 1.0 O B:MET60 4.5 13.6 1.0 HA B:MET60 4.6 16.7 1.0 HA B:VAL59 4.6 13.3 1.0 HB3 B:MET60 4.6 19.6 1.0 HB2 B:ARG87 4.6 18.1 1.0 C B:MET60 4.6 13.2 1.0 HG21 B:VAL59 4.7 16.0 1.0 HD3 B:ARG87 4.7 34.7 1.0 CA B:ASP58 4.8 9.4 1.0 CB B:ARG87 4.8 15.1 1.0 CB B:ASP58 4.8 12.2 1.0 CG2 B:THR85 4.9 13.7 1.0 CA B:ALA86 4.9 13.2 1.0 CD B:ARG87 4.9 28.9 1.0 HG11 B:VAL59 4.9 20.4 1.0 SD B:MET60 4.9 26.2 1.0 O B:VAL59 4.9 12.1 1.0 HG21 B:THR85 5.0 16.4 1.0

Fluorine binding site 5 out of 6 in the Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:10.8 occ:1.00 F2 B:BEF301 0.0 10.8 1.0 BE B:BEF301 1.6 13.4 1.0 MG B:MG302 2.0 12.2 1.0 HB2 B:MET60 2.4 19.6 1.0 F3 B:BEF301 2.5 9.6 1.0 F1 B:BEF301 2.5 10.5 1.0 O B:HOH414 2.8 12.1 1.0 OD2 B:ASP58 2.9 10.5 1.0 O B:HOH586 2.9 33.3 1.0 O B:HOH491 2.9 12.1 1.0 OD1 B:ASP58 2.9 11.4 1.0 H B:MET60 3.0 14.1 1.0 O B:MET60 3.1 13.6 1.0 CG B:ASP58 3.2 11.0 1.0 CB B:MET60 3.3 16.3 1.0 HZ1 B:LYS107 3.5 16.7 1.0 N B:MET60 3.6 11.7 1.0 HG2 B:MET60 3.7 27.8 1.0 CA B:MET60 3.8 13.9 1.0 C B:MET60 3.9 13.2 1.0 HB3 B:MET60 3.9 19.6 1.0 O B:HOH594 3.9 45.4 1.0 CG B:MET60 3.9 23.2 1.0 H B:VAL59 4.1 12.1 1.0 OD1 B:ASP15 4.1 13.3 1.0 HZ3 B:LYS107 4.1 16.7 1.0 HG3 B:MET60 4.1 27.8 1.0 HG1 B:THR85 4.2 13.3 1.0 NZ B:LYS107 4.2 13.9 1.0 H B:ALA86 4.3 14.1 1.0 O B:HOH576 4.5 27.2 1.0 HZ2 B:LYS107 4.6 16.7 1.0 N B:VAL59 4.7 10.1 1.0 HB3 B:ALA86 4.7 19.2 1.0 HA B:MET60 4.7 16.7 1.0 CB B:ASP58 4.7 12.2 1.0 C B:VAL59 4.8 10.2 1.0 HA B:THR85 4.8 14.8 1.0 OE2 B:GLU14 4.9 13.9 1.0 HB B:VAL59 5.0 13.2 1.0 OG1 B:THR85 5.0 11.1 1.0

Fluorine binding site 6 out of 6 in the Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Beryllium Fluorinated Receiver Domain of Bfmr From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:9.6 occ:1.00 F3 B:BEF301 0.0 9.6 1.0 BE B:BEF301 1.5 13.4 1.0 H B:ALA86 2.0 14.1 1.0 HZ1 B:LYS107 2.1 16.7 1.0 F1 B:BEF301 2.5 10.5 1.0 F2 B:BEF301 2.5 10.8 1.0 HA B:THR85 2.8 14.8 1.0 N B:ALA86 2.8 11.8 1.0 OD1 B:ASP58 2.9 11.4 1.0 O B:HOH586 2.9 33.3 1.0 NZ B:LYS107 2.9 13.9 1.0 HG1 B:THR85 2.9 13.3 1.0 HD2 B:LYS107 3.0 16.9 1.0 HB3 B:ALA86 3.1 19.2 1.0 HZ3 B:LYS107 3.3 16.7 1.0 HE3 B:LYS107 3.3 20.6 1.0 HB2 B:ALA86 3.4 19.2 1.0 HZ2 B:LYS107 3.5 16.7 1.0 CE B:LYS107 3.5 17.1 1.0 CA B:THR85 3.5 12.4 1.0 CB B:ALA86 3.5 16.0 1.0 C B:THR85 3.6 11.6 1.0 OG1 B:THR85 3.7 11.1 1.0 CD B:LYS107 3.7 14.1 1.0 CA B:ALA86 3.7 13.2 1.0 O B:HOH414 3.8 12.1 1.0 CG B:ASP58 3.9 11.0 1.0 CB B:THR85 4.1 16.4 1.0 OD2 B:ASP58 4.2 10.5 1.0 H B:ARG87 4.2 18.2 1.0 MG B:MG302 4.2 12.2 1.0 H B:VAL59 4.2 12.1 1.0 HD3 B:LYS107 4.2 16.9 1.0 H B:MET60 4.3 14.1 1.0 HB B:THR85 4.3 19.6 1.0 O B:HOH499 4.4 23.4 1.0 HE2 B:LYS107 4.4 20.6 1.0 HB2 B:MET60 4.5 19.6 1.0 HA B:ALA86 4.5 15.8 1.0 HB1 B:ALA86 4.5 19.2 1.0 HG2 B:ARG87 4.5 21.5 1.0 HG3 B:LYS107 4.5 14.3 1.0 O B:LEU84 4.6 12.2 1.0 C B:ALA86 4.7 15.5 1.0 HG2 B:MET60 4.7 27.8 1.0 N B:ARG87 4.7 15.2 1.0 N B:THR85 4.7 9.3 1.0 CG B:LYS107 4.7 11.9 1.0 O B:THR85 4.8 13.8 1.0 HB2 B:LYS107 4.9 18.9 1.0 HA B:ASP58 4.9 11.3 1.0 HB B:VAL59 5.0 13.2 1.0

G.L.Draughn, M.E.Milton, E.A.Feldmann, B.G.Bobay, B.M.Roth, A.L.Olson, R.J.Thompson, L.A.Actis, C.Davies, J.Cavanagh. The Structure of the Biofilm-Controlling Response Regulator Bfmr From Acinetobacter Baumannii Reveals Details of Its Dna-Binding Mechanism. J. Mol. Biol. V. 430 806 2018.
ISSN: ESSN 1089-8638
PubMed: 29438671
DOI: 10.1016/J.JMB.2018.02.002