Fluorine in PDB 5ltk: Crystal Structure of the PRP43-Adp-BEF3 Complex (in Hexagonal Space Group)

The structure of Crystal Structure of the PRP43-Adp-BEF3 Complex (in Hexagonal Space Group), PDB code: 5ltk was solved by M.J.Tauchert, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	92.17 / 3.24
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	184.342, 184.342, 82.317, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 21.7

The structure of Crystal Structure of the PRP43-Adp-BEF3 Complex (in Hexagonal Space Group) also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of the PRP43-Adp-BEF3 Complex (in Hexagonal Space Group) (pdb code 5ltk). 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 the PRP43-Adp-BEF3 Complex (in Hexagonal Space Group), PDB code: 5ltk:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of the PRP43-Adp-BEF3 Complex (in Hexagonal Space Group)


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 the PRP43-Adp-BEF3 Complex (in Hexagonal Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:76.9 occ:1.00 F1 A:BEF802 0.0 76.9 1.0 BE A:BEF802 1.5 81.3 1.0 O3B A:ADP801 2.4 76.6 1.0 F3 A:BEF802 2.5 0.7 1.0 O A:HOH901 2.5 42.2 0.6 F2 A:BEF802 2.6 0.4 1.0 NZ A:LYS125 2.7 71.9 1.0 CE A:LYS125 3.3 64.7 1.0 CA A:THR121 3.4 73.4 1.0 PB A:ADP801 3.5 63.7 1.0 O A:HOH902 3.6 62.0 1.0 CG2 A:THR121 3.8 77.5 1.0 O2B A:ADP801 3.8 64.1 1.0 MG A:MG803 3.8 87.1 1.0 CB A:THR121 3.9 75.9 1.0 N A:GLY122 4.0 72.1 1.0 CB A:ALA251 4.1 73.4 1.0 OE2 A:GLU219 4.1 84.6 1.0 C A:THR121 4.2 79.5 1.0 N A:THR121 4.2 69.2 1.0 NE2 A:GLN428 4.2 73.2 1.0 O A:GLU120 4.3 60.2 1.0 O1B A:ADP801 4.3 96.8 1.0 C A:GLU120 4.6 66.0 1.0 NH1 A:ARG432 4.7 86.7 1.0 O3A A:ADP801 4.8 0.4 1.0 CD A:LYS125 4.8 59.9 1.0 O A:GLY119 4.8 69.5 1.0 O A:HOH903 4.8 65.7 1.0 N A:ALA251 4.8 81.9 1.0 NH1 A:ARG435 4.9 74.8 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the PRP43-Adp-BEF3 Complex (in Hexagonal Space Group)


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 the PRP43-Adp-BEF3 Complex (in Hexagonal Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:0.4 occ:1.00 F2 A:BEF802 0.0 0.4 1.0 BE A:BEF802 1.6 81.3 1.0 NH1 A:ARG432 2.4 86.7 1.0 F3 A:BEF802 2.5 0.7 1.0 O3B A:ADP801 2.5 76.6 1.0 F1 A:BEF802 2.6 76.9 1.0 NH1 A:ARG435 2.7 74.8 1.0 CZ A:ARG435 3.5 79.9 1.0 NH2 A:ARG435 3.6 0.5 1.0 CZ A:ARG432 3.6 79.9 1.0 CB A:THR121 3.8 75.9 1.0 CA A:THR121 3.9 73.4 1.0 CG2 A:THR121 4.0 77.5 1.0 N A:GLY122 4.0 72.1 1.0 MG A:MG803 4.0 87.1 1.0 PB A:ADP801 4.0 63.7 1.0 C A:THR121 4.2 79.5 1.0 O A:HOH901 4.4 42.2 0.6 NH2 A:ARG432 4.4 90.1 1.0 N A:SER387 4.4 90.6 1.0 NE2 A:GLN428 4.4 73.2 1.0 NE A:ARG432 4.5 73.3 1.0 O3A A:ADP801 4.6 0.4 1.0 CA A:SER387 4.6 91.6 1.0 NE A:ARG435 4.7 64.7 1.0 O A:GLY431 4.8 69.8 1.0 O A:HOH904 4.8 78.8 1.0 O1B A:ADP801 4.8 96.8 1.0 CA A:GLY122 4.9 70.0 1.0 O2B A:ADP801 5.0 64.1 1.0 O A:HOH902 5.0 62.0 1.0 NZ A:LYS125 5.0 71.9 1.0 OE2 A:GLU219 5.0 84.6 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the PRP43-Adp-BEF3 Complex (in Hexagonal Space Group)


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 the PRP43-Adp-BEF3 Complex (in Hexagonal Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:0.7 occ:1.00 F3 A:BEF802 0.0 0.7 1.0 BE A:BEF802 1.5 81.3 1.0 MG A:MG803 1.7 87.1 1.0 O3B A:ADP801 2.2 76.6 1.0 F2 A:BEF802 2.5 0.4 1.0 F1 A:BEF802 2.5 76.9 1.0 O A:HOH902 2.6 62.0 1.0 O A:HOH903 2.6 65.7 1.0 O A:HOH904 3.1 78.8 1.0 OE2 A:GLU219 3.2 84.6 1.0 PB A:ADP801 3.2 63.7 1.0 O1B A:ADP801 3.2 96.8 1.0 O A:HOH901 3.3 42.2 0.6 OG1 A:THR126 3.7 69.0 1.0 CA A:SER387 3.8 91.6 1.0 N A:SER387 4.1 90.6 1.0 O2B A:ADP801 4.3 64.1 1.0 CD A:GLU219 4.3 91.4 1.0 O3A A:ADP801 4.3 0.4 1.0 NZ A:LYS125 4.4 71.9 1.0 OG A:SER387 4.4 96.4 1.0 NH1 A:ARG432 4.4 86.7 1.0 NH2 A:ARG435 4.4 0.5 1.0 O2A A:ADP801 4.4 85.6 1.0 CE A:LYS125 4.6 64.7 1.0 CB A:SER387 4.6 82.5 1.0 NH1 A:ARG435 4.7 74.8 1.0 NE2 A:GLN428 4.7 73.2 1.0 C A:SER387 4.8 98.8 1.0 CB A:THR126 4.8 60.6 1.0 OE1 A:GLU219 4.9 0.9 1.0

M.J.Tauchert, J.B.Fourmann, R.Luhrmann, R.Ficner. Structural Insights Into the Mechanism of the Deah-Box Rna Helicase PRP43. Elife V. 6 2017.
ISSN: ESSN 2050-084X
PubMed: 28092261
DOI: 10.7554/ELIFE.21510