Fluorine in PDB 6heg: Crystal Structure of Escherichia Coli Deah/Rha Helicase Hrpb

All present enzymatic activity of Crystal Structure of Escherichia Coli Deah/Rha Helicase Hrpb:
3.6.4.13;

The structure of Crystal Structure of Escherichia Coli Deah/Rha Helicase Hrpb, PDB code: 6heg was solved by B.G.Xin, W.F.Chen, S.Rety, Y.X.Dai, X.G.Xi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.19 / 3.02
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.550, 106.372, 180.005, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 26.3

The structure of Crystal Structure of Escherichia Coli Deah/Rha Helicase Hrpb also contains other interesting chemical elements:

Aluminium

(Al)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Escherichia Coli Deah/Rha Helicase Hrpb (pdb code 6heg). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Escherichia Coli Deah/Rha Helicase Hrpb, PDB code: 6heg:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of Escherichia Coli Deah/Rha Helicase Hrpb


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 Escherichia Coli Deah/Rha Helicase Hrpb within 5.0Å range: probe atom residue distance (Å) B Occ A:F902 b:0.7 occ:1.00 F1 A:ALF902 0.0 0.7 1.0 AL A:ALF902 1.8 0.2 1.0 O3B A:ADP901 2.2 0.6 1.0 F4 A:ALF902 2.5 0.7 1.0 F3 A:ALF902 2.6 0.2 1.0 O2B A:ADP901 2.8 76.0 1.0 OG A:SER34 2.9 90.2 1.0 PB A:ADP901 3.0 78.2 1.0 O A:SER278 3.2 59.7 1.0 OE2 A:GLU124 3.4 0.6 1.0 O A:THR277 3.4 71.6 1.0 F2 A:ALF902 3.6 0.8 1.0 O3A A:ADP901 3.9 77.1 1.0 CD A:GLU124 3.9 0.3 1.0 C A:SER278 4.0 48.3 1.0 CA A:SER278 4.2 59.5 1.0 CB A:SER34 4.3 71.0 1.0 O1B A:ADP901 4.3 52.6 1.0 C A:THR277 4.4 65.1 1.0 OE1 A:GLU124 4.6 0.2 1.0 O2A A:ADP901 4.6 69.0 1.0 CG A:GLU124 4.6 0.8 1.0 OD2 A:ASP123 4.8 40.1 1.0 N A:SER278 4.8 68.2 1.0 PA A:ADP901 4.9 75.6 1.0 OD1 A:ASP123 5.0 53.3 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of Escherichia Coli Deah/Rha Helicase Hrpb


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 Escherichia Coli Deah/Rha Helicase Hrpb within 5.0Å range: probe atom residue distance (Å) B Occ A:F902 b:0.8 occ:1.00 F2 A:ALF902 0.0 0.8 1.0 AL A:ALF902 1.8 0.2 1.0 OE2 A:GLU124 2.4 0.6 1.0 F4 A:ALF902 2.5 0.7 1.0 F3 A:ALF902 2.5 0.2 1.0 CE A:LYS33 2.8 48.9 1.0 OD1 A:ASP123 2.9 53.3 1.0 NZ A:LYS33 3.4 55.8 1.0 F1 A:ALF902 3.6 0.7 1.0 CD A:GLU124 3.7 0.3 1.0 CE A:MET155 3.8 68.7 1.0 CB A:LYS33 3.9 48.6 1.0 CG A:ASP123 3.9 47.9 1.0 CD A:LYS33 3.9 52.2 1.0 O2B A:ADP901 4.0 76.0 1.0 O3B A:ADP901 4.1 0.6 1.0 OD2 A:ASP123 4.2 40.1 1.0 N A:GLU124 4.3 60.3 1.0 OG A:SER34 4.3 90.2 1.0 PB A:ADP901 4.3 78.2 1.0 CG A:LYS33 4.3 53.3 1.0 CG A:GLU124 4.3 0.8 1.0 O1B A:ADP901 4.5 52.6 1.0 OE1 A:GLU124 4.6 0.2 1.0 CA A:GLU124 4.7 69.1 1.0 CB A:MET155 4.7 52.5 1.0 CB A:ALA157 4.8 49.3 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of Escherichia Coli Deah/Rha Helicase Hrpb


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 Escherichia Coli Deah/Rha Helicase Hrpb within 5.0Å range: probe atom residue distance (Å) B Occ A:F902 b:0.2 occ:1.00 F3 A:ALF902 0.0 0.2 1.0 AL A:ALF902 1.8 0.2 1.0 OE2 A:GLU124 2.2 0.6 1.0 F2 A:ALF902 2.5 0.8 1.0 F1 A:ALF902 2.6 0.7 1.0 O3B A:ADP901 2.6 0.6 1.0 CD A:GLU124 3.1 0.3 1.0 O A:THR277 3.2 71.6 1.0 NZ A:LYS33 3.5 55.8 1.0 OE1 A:GLU124 3.6 0.2 1.0 F4 A:ALF902 3.6 0.7 1.0 PB A:ADP901 3.6 78.2 1.0 CE A:LYS33 4.0 48.9 1.0 O2B A:ADP901 4.0 76.0 1.0 CB A:ALA157 4.1 49.3 1.0 O1B A:ADP901 4.1 52.6 1.0 C A:THR277 4.1 65.1 1.0 OG1 A:THR29 4.2 54.6 1.0 CB A:THR277 4.4 74.6 1.0 CG A:GLU124 4.4 0.8 1.0 CA A:THR29 4.7 59.8 1.0 CG2 A:THR29 4.8 68.0 1.0 CA A:THR277 4.8 65.2 1.0 CB A:THR29 4.8 60.3 1.0 OG1 A:THR277 4.8 79.3 1.0 CE1 A:HIS126 4.9 59.1 1.0 OG A:SER34 4.9 90.2 1.0 OD1 A:ASP123 4.9 53.3 1.0 O3A A:ADP901 4.9 77.1 1.0 N A:SER278 5.0 68.2 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of Escherichia Coli Deah/Rha Helicase Hrpb


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 Escherichia Coli Deah/Rha Helicase Hrpb within 5.0Å range: probe atom residue distance (Å) B Occ A:F902 b:0.7 occ:1.00 F4 A:ALF902 0.0 0.7 1.0 AL A:ALF902 1.8 0.2 1.0 OG A:SER34 1.8 90.2 1.0 F2 A:ALF902 2.5 0.8 1.0 F1 A:ALF902 2.5 0.7 1.0 O2B A:ADP901 2.7 76.0 1.0 OD2 A:ASP123 2.7 40.1 1.0 OD1 A:ASP123 3.0 53.3 1.0 CB A:SER34 3.1 71.0 1.0 CG A:ASP123 3.2 47.9 1.0 N A:SER34 3.5 57.2 1.0 OE2 A:GLU124 3.6 0.6 1.0 F3 A:ALF902 3.6 0.2 1.0 CA A:SER34 3.6 59.5 1.0 PB A:ADP901 3.7 78.2 1.0 CE A:MET155 3.9 68.7 1.0 O3B A:ADP901 3.9 0.6 1.0 CB A:LYS33 4.0 48.6 1.0 C A:LYS33 4.0 46.5 1.0 CD A:GLU124 4.4 0.3 1.0 OE2 A:GLU55 4.4 72.2 1.0 CA A:LYS33 4.5 49.7 1.0 CG A:GLU124 4.6 0.8 1.0 O1B A:ADP901 4.6 52.6 1.0 O A:LYS33 4.7 40.9 1.0 CE A:LYS33 4.7 48.9 1.0 O2A A:ADP901 4.7 69.0 1.0 CB A:ASP123 4.7 42.1 1.0 N A:LYS33 4.9 62.0 1.0 O3A A:ADP901 4.9 77.1 1.0

B.G.Xin, W.F.Chen, S.Rety, Y.X.Dai, X.G.Xi. Crystal Structure of Escherichia Coli Deah/Rha Helicase Hrpb. Biochem. Biophys. Res. V. 504 334 2018COMMUN..
ISSN: ESSN 1090-2104
PubMed: 30190128
DOI: 10.1016/J.BBRC.2018.08.191