Fluorine in PDB 5lta: Crystal Structure of the PRP43-Adp-BEF3-U7-Rna Complex

All present enzymatic activity of Crystal Structure of the PRP43-Adp-BEF3-U7-Rna Complex:
3.6.4.13;

The structure of Crystal Structure of the PRP43-Adp-BEF3-U7-Rna Complex, PDB code: 5lta 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)	48.56 / 2.62
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	106.392, 106.392, 356.698, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 23

The structure of Crystal Structure of the PRP43-Adp-BEF3-U7-Rna Complex also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Arsenic	(As)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of the PRP43-Adp-BEF3-U7-Rna Complex (pdb code 5lta). 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-U7-Rna Complex, PDB code: 5lta:
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-U7-Rna Complex


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-U7-Rna Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F803 b:56.2 occ:1.00 F1 A:BEF803 0.0 56.2 1.0 BE A:BEF803 1.5 59.7 1.0 MG A:MG802 1.7 55.8 1.0 F3 A:BEF803 2.5 47.8 1.0 F2 A:BEF803 2.6 48.3 1.0 O3B A:ADP801 2.6 49.4 1.0 O A:HOH909 2.7 49.4 1.0 O A:HOH915 2.7 50.4 1.0 OE2 A:GLU219 3.0 82.8 1.0 O1B A:ADP801 3.1 47.3 1.0 O A:HOH906 3.1 47.7 1.0 O A:HOH901 3.3 57.0 0.7 PB A:ADP801 3.3 48.9 1.0 OG1 A:THR126 3.7 48.9 1.0 CA A:SER387 3.8 52.1 1.0 O A:HOH902 3.8 54.6 0.9 CD A:GLU219 3.9 77.0 1.0 N A:SER387 4.0 51.0 1.0 NZ A:LYS125 4.3 57.9 1.0 O2B A:ADP801 4.4 47.9 1.0 OE1 A:GLU219 4.4 85.2 1.0 NH2 A:ARG432 4.4 56.6 1.0 NH2 A:ARG435 4.4 42.6 1.0 O3A A:ADP801 4.5 48.0 1.0 O A:SER387 4.5 57.4 1.0 NE2 A:GLN428 4.5 83.0 1.0 C A:SER387 4.6 52.4 1.0 O2A A:ADP801 4.6 50.4 1.0 OG A:SER387 4.7 73.3 1.0 NH1 A:ARG432 4.7 41.4 1.0 CB A:SER387 4.7 55.3 1.0 CE A:LYS125 4.8 48.7 1.0 CB A:THR126 4.9 49.6 1.0 CG A:GLU219 4.9 60.3 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the PRP43-Adp-BEF3-U7-Rna Complex


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-U7-Rna Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F803 b:48.3 occ:1.00 F2 A:BEF803 0.0 48.3 1.0 BE A:BEF803 1.6 59.7 1.0 F3 A:BEF803 2.5 47.8 1.0 NZ A:LYS125 2.5 57.9 1.0 F1 A:BEF803 2.6 56.2 1.0 O3B A:ADP801 2.7 49.4 1.0 O A:HOH902 2.8 54.6 0.9 CE A:LYS125 3.3 48.7 1.0 PB A:ADP801 3.5 48.9 1.0 CG2 A:THR121 3.6 46.0 1.0 CA A:THR121 3.6 47.9 1.0 O A:HOH909 3.6 49.4 1.0 CB A:ALA251 3.6 48.8 1.0 O2B A:ADP801 3.7 47.9 1.0 MG A:MG802 3.8 55.8 1.0 NE2 A:GLN428 4.0 83.0 1.0 CB A:THR121 4.0 49.4 1.0 O1B A:ADP801 4.0 47.3 1.0 O A:HOH901 4.2 57.0 0.7 O A:GLU120 4.2 55.4 1.0 N A:THR121 4.2 53.9 1.0 OE2 A:GLU219 4.3 82.8 1.0 N A:GLY122 4.4 58.1 1.0 NH2 A:ARG432 4.5 56.6 1.0 C A:GLU120 4.5 52.8 1.0 N A:ALA251 4.5 53.1 1.0 C A:THR121 4.6 57.9 1.0 OE1 A:GLU219 4.6 85.2 1.0 CA A:ALA251 4.7 49.5 1.0 O A:GLY119 4.7 60.8 1.0 CD A:LYS125 4.8 53.7 1.0 CD A:GLU219 4.8 77.0 1.0 O3A A:ADP801 4.9 48.0 1.0 O A:HOH915 5.0 50.4 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the PRP43-Adp-BEF3-U7-Rna Complex


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-U7-Rna Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F803 b:47.8 occ:1.00 F3 A:BEF803 0.0 47.8 1.0 BE A:BEF803 1.5 59.7 1.0 O3B A:ADP801 2.1 49.4 1.0 F2 A:BEF803 2.5 48.3 1.0 F1 A:BEF803 2.5 56.2 1.0 NH2 A:ARG432 2.9 56.6 1.0 NH1 A:ARG435 2.9 47.9 1.0 NH2 A:ARG435 3.2 42.6 1.0 CZ A:ARG435 3.4 44.4 1.0 NH1 A:ARG432 3.5 41.4 1.0 CZ A:ARG432 3.6 45.8 1.0 PB A:ADP801 3.6 48.9 1.0 CB A:THR121 3.6 49.4 1.0 O A:HOH901 3.6 57.0 0.7 CG2 A:THR121 3.7 46.0 1.0 CA A:THR121 3.7 47.9 1.0 N A:GLY122 3.8 58.1 1.0 MG A:MG802 4.0 55.8 1.0 C A:THR121 4.2 57.9 1.0 NE2 A:GLN428 4.2 83.0 1.0 O3A A:ADP801 4.4 48.0 1.0 O1B A:ADP801 4.4 47.3 1.0 O2B A:ADP801 4.4 47.9 1.0 O A:HOH906 4.7 47.7 1.0 N A:SER387 4.7 51.0 1.0 O A:HOH902 4.7 54.6 0.9 OE2 A:GLU219 4.7 82.8 1.0 NE A:ARG435 4.8 45.9 1.0 O A:GLY431 4.8 56.2 1.0 CA A:SER387 4.8 52.1 1.0 NE A:ARG432 4.9 42.2 1.0 CA A:GLY122 4.9 50.8 1.0 O A:HOH909 4.9 49.4 1.0 NZ A:LYS125 5.0 57.9 1.0 O A:SER387 5.0 57.4 1.0 N A:THR121 5.0 53.9 1.0 OG1 A:THR121 5.0 46.0 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