Fluorine in PDB 6qie: Crystal Structure of Deah-Box Atpase PRP43-S387G

The structure of Crystal Structure of Deah-Box Atpase PRP43-S387G, PDB code: 6qie was solved by F.Hamann, R.Ficner, M.Enders, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	77.85 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.640, 102.980, 118.920, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 25.4

The structure of Crystal Structure of Deah-Box Atpase PRP43-S387G also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of Deah-Box Atpase PRP43-S387G (pdb code 6qie). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Deah-Box Atpase PRP43-S387G, PDB code: 6qie:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Deah-Box Atpase PRP43-S387G


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 Deah-Box Atpase PRP43-S387G within 5.0Å range: probe atom residue distance (Å) B Occ A:F818 b:69.6 occ:1.00 F1 A:BEF818 0.0 69.6 1.0 BE A:BEF818 1.5 76.8 1.0 F2 A:BEF818 2.6 77.7 1.0 O A:HOH912 2.6 73.8 1.0 F3 A:BEF818 2.6 86.0 1.0 O3B A:ADP810 2.9 71.9 1.0 NZ A:LYS125 3.2 52.6 1.0 CB A:ALA251 3.4 61.7 1.0 O A:HOH904 3.4 97.3 1.0 O A:HOH911 3.5 53.3 1.0 OE2 A:GLU219 3.6 74.9 1.0 CA A:THR121 3.6 68.9 1.0 O2B A:ADP810 3.7 73.4 1.0 CE A:LYS125 3.7 54.3 1.0 CG2 A:THR121 3.8 71.9 1.0 PB A:ADP810 3.8 66.1 1.0 MG A:MG817 3.9 68.9 1.0 CB A:THR121 4.0 69.0 1.0 NE2 A:GLN428 4.0 60.8 1.0 NH2 A:ARG432 4.2 55.6 1.0 OE1 A:GLN428 4.3 59.5 1.0 N A:THR121 4.3 61.8 1.0 N A:GLY122 4.4 63.6 1.0 O A:GLU120 4.4 59.5 1.0 O1B A:ADP810 4.5 61.0 1.0 N A:ALA251 4.5 75.3 1.0 CA A:ALA251 4.5 63.3 1.0 C A:THR121 4.5 71.0 1.0 CD A:GLN428 4.6 62.3 1.0 C A:GLU120 4.7 61.4 1.0 CD A:GLU219 4.7 75.5 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Deah-Box Atpase PRP43-S387G


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 Deah-Box Atpase PRP43-S387G within 5.0Å range: probe atom residue distance (Å) B Occ A:F818 b:77.7 occ:1.00 F2 A:BEF818 0.0 77.7 1.0 BE A:BEF818 1.5 76.8 1.0 MG A:MG817 1.8 68.9 1.0 O2B A:ADP810 2.5 73.4 1.0 F3 A:BEF818 2.6 86.0 1.0 F1 A:BEF818 2.6 69.6 1.0 OE2 A:GLU219 2.7 74.9 1.0 O A:HOH904 2.7 97.3 1.0 O A:HOH911 2.9 53.3 1.0 O A:HOH901 3.1 68.6 1.0 O A:HOH910 3.2 69.5 1.0 O3B A:ADP810 3.2 71.9 1.0 PB A:ADP810 3.4 66.1 1.0 O A:HOH912 3.7 73.8 1.0 CD A:GLU219 3.8 75.5 1.0 NH2 A:ARG435 4.1 48.1 1.0 N A:GLY387 4.1 64.2 1.0 CA A:GLY387 4.1 66.7 1.0 NH2 A:ARG432 4.1 55.6 1.0 OG1 A:THR126 4.2 61.7 1.0 OE1 A:GLU219 4.2 82.7 1.0 NH1 A:ARG432 4.3 54.9 1.0 O3A A:ADP810 4.3 56.5 1.0 O2A A:ADP810 4.5 75.0 1.0 O1B A:ADP810 4.6 61.0 1.0 O A:GLY387 4.6 79.6 1.0 CZ A:ARG432 4.7 50.9 1.0 NH1 A:ARG435 4.7 74.1 1.0 C A:GLY387 4.7 74.4 1.0 OE1 A:GLN428 4.7 59.5 1.0 NZ A:LYS125 4.8 52.6 1.0 CZ A:ARG435 4.8 65.7 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Deah-Box Atpase PRP43-S387G


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 Deah-Box Atpase PRP43-S387G within 5.0Å range: probe atom residue distance (Å) B Occ A:F818 b:86.0 occ:1.00 F3 A:BEF818 0.0 86.0 1.0 BE A:BEF818 1.6 76.8 1.0 NH2 A:ARG432 2.4 55.6 1.0 F2 A:BEF818 2.6 77.7 1.0 F1 A:BEF818 2.6 69.6 1.0 NH1 A:ARG435 2.6 74.1 1.0 NH1 A:ARG432 3.0 54.9 1.0 CZ A:ARG432 3.0 50.9 1.0 O3B A:ADP810 3.1 71.9 1.0 O A:HOH904 3.2 97.3 1.0 NH2 A:ARG435 3.3 48.1 1.0 CZ A:ARG435 3.4 65.7 1.0 CB A:THR121 3.5 69.0 1.0 CA A:THR121 3.7 68.9 1.0 CG2 A:THR121 3.8 71.9 1.0 N A:GLY122 3.9 63.6 1.0 OE1 A:GLN428 4.1 59.5 1.0 C A:THR121 4.1 71.0 1.0 PB A:ADP810 4.2 66.1 1.0 O2B A:ADP810 4.2 73.4 1.0 MG A:MG817 4.2 68.9 1.0 NE A:ARG432 4.3 51.8 1.0 O A:GLY431 4.5 64.3 1.0 O A:HOH912 4.5 73.8 1.0 OE2 A:GLU219 4.5 74.9 1.0 NE A:ARG435 4.6 64.4 1.0 OG1 A:THR121 4.8 74.8 1.0 O3A A:ADP810 4.8 56.5 1.0 O A:HOH901 4.8 68.6 1.0 N A:GLY387 4.9 64.2 1.0 CD A:GLN428 4.9 62.3 1.0 CA A:GLY122 4.9 40.0 1.0

F.Hamann, M.Enders, R.Ficner. Structural Basis For Rna Translocation By Deah-Box Atpases. Nucleic Acids Res. V. 47 4349 2019.
ISSN: ESSN 1362-4962
PubMed: 30828714
DOI: 10.1093/NAR/GKZ150