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

The structure of Crystal Structure of the PRP43-Adp-BEF3 Complex (in Orthorhombic Space Group), PDB code: 5ltj 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)	67.99 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.826, 105.637, 119.050, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 19.9

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

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	4 atoms

The binding sites of Fluorine atom in the Crystal Structure of the PRP43-Adp-BEF3 Complex (in Orthorhombic Space Group) (pdb code 5ltj). 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 Orthorhombic Space Group), PDB code: 5ltj:
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 Orthorhombic 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 Orthorhombic Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:21.2 occ:1.00 F1 A:BEF802 0.0 21.2 1.0 BE A:BEF802 1.5 18.5 1.0 O A:HOH1242 2.5 19.2 1.0 F3 A:BEF802 2.6 21.3 1.0 F2 A:BEF802 2.6 21.7 1.0 NZ A:LYS125 2.8 19.3 1.0 O3B A:ADP801 3.1 19.1 1.0 O A:HOH1017 3.4 22.7 1.0 CA A:THR121 3.5 20.3 1.0 CE A:LYS125 3.5 21.6 1.0 O A:HOH1051 3.5 22.6 1.0 CG2 A:THR121 3.7 19.5 1.0 PB A:ADP801 3.8 20.1 1.0 CB A:ALA251 3.8 18.5 1.0 CB A:THR121 3.9 18.4 1.0 O1B A:ADP801 3.9 19.1 1.0 MG A:MG803 4.0 19.4 1.0 OE2 A:GLU219 4.1 33.4 1.0 N A:THR121 4.2 22.6 1.0 O2B A:ADP801 4.2 18.9 1.0 N A:GLY122 4.3 22.0 1.0 O A:GLU120 4.3 22.0 1.0 OE1 A:GLN428 4.4 21.2 1.0 C A:THR121 4.4 19.5 1.0 N A:ALA251 4.5 21.8 1.0 C A:GLU120 4.6 18.9 1.0 NH2 A:ARG432 4.6 18.8 1.0 OE1 A:GLU219 4.7 28.1 1.0 NE2 A:GLN428 4.7 22.1 1.0 CA A:ALA251 4.8 18.3 1.0 CD A:GLU219 4.8 28.1 1.0 O A:GLY119 4.9 22.0 1.0 CD A:LYS125 5.0 24.7 1.0 CD A:GLN428 5.0 22.1 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the PRP43-Adp-BEF3 Complex (in Orthorhombic 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 Orthorhombic Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:21.7 occ:1.00 F2 A:BEF802 0.0 21.7 1.0 BE A:BEF802 1.6 18.5 1.0 F3 A:BEF802 2.5 21.3 1.0 F1 A:BEF802 2.6 21.2 1.0 O3B A:ADP801 2.7 19.1 1.0 NH2 A:ARG432 2.7 18.8 1.0 NH1 A:ARG435 2.8 18.8 1.0 O A:HOH1017 3.0 22.7 1.0 NH1 A:ARG432 3.1 17.2 1.0 CZ A:ARG432 3.3 20.8 1.0 CB A:THR121 3.4 18.4 1.0 NH2 A:ARG435 3.4 18.9 1.0 CZ A:ARG435 3.5 18.8 1.0 CG2 A:THR121 3.6 19.5 1.0 CA A:THR121 3.6 20.3 1.0 N A:GLY122 3.7 22.0 1.0 PB A:ADP801 4.1 20.1 1.0 C A:THR121 4.1 19.5 1.0 OE1 A:GLN428 4.3 21.2 1.0 MG A:MG803 4.4 19.4 1.0 N A:SER387 4.4 18.1 1.0 O A:HOH1242 4.5 19.2 1.0 O A:GLY431 4.6 20.2 1.0 NE A:ARG432 4.6 20.4 1.0 OG1 A:THR121 4.7 19.7 1.0 CA A:SER387 4.7 20.0 0.6 O2B A:ADP801 4.7 18.9 1.0 CA A:SER387 4.7 19.4 0.4 NE A:ARG435 4.8 19.7 1.0 O A:HOH961 4.8 20.2 1.0 CA A:GLY122 4.8 19.1 1.0 O A:SER387 4.9 19.9 1.0 OE2 A:GLU219 4.9 33.4 1.0 O1B A:ADP801 4.9 19.1 1.0 N A:THR121 4.9 22.6 1.0 C A:SER387 4.9 17.7 1.0 O3A A:ADP801 5.0 18.4 1.0 NZ A:LYS125 5.0 19.3 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the PRP43-Adp-BEF3 Complex (in Orthorhombic 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 Orthorhombic Space Group) within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:21.3 occ:1.00 F3 A:BEF802 0.0 21.3 1.0 BE A:BEF802 1.5 18.5 1.0 MG A:MG803 2.0 19.4 1.0 F2 A:BEF802 2.5 21.7 1.0 F1 A:BEF802 2.6 21.2 1.0 O A:HOH1017 2.7 22.7 1.0 O3B A:ADP801 2.8 19.1 1.0 O A:HOH1051 2.8 22.6 1.0 O A:HOH918 2.9 18.4 1.0 OE2 A:GLU219 3.0 33.4 1.0 O A:HOH961 3.0 20.2 1.0 O2B A:ADP801 3.1 18.9 1.0 PB A:ADP801 3.4 20.1 1.0 CA A:SER387 3.7 20.0 0.6 CA A:SER387 3.7 19.4 0.4 N A:SER387 3.9 18.1 1.0 O A:HOH1242 3.9 19.2 1.0 OG1 A:THR126 4.0 21.1 1.0 CD A:GLU219 4.2 28.1 1.0 NH2 A:ARG435 4.2 18.9 1.0 O A:SER387 4.3 19.9 1.0 C A:SER387 4.4 17.7 1.0 O1B A:ADP801 4.4 19.1 1.0 NZ A:LYS125 4.5 19.3 1.0 NH1 A:ARG432 4.5 17.2 1.0 NH2 A:ARG432 4.6 18.8 1.0 O3A A:ADP801 4.6 18.4 1.0 O2A A:ADP801 4.6 21.2 1.0 OE1 A:GLU219 4.7 28.1 1.0 CB A:SER387 4.8 20.4 0.6 CB A:SER387 4.8 19.9 0.4 CE A:LYS125 4.8 21.6 1.0 NH1 A:ARG435 4.9 18.8 1.0 OG A:SER387 4.9 19.8 0.4 CZ A:ARG435 5.0 18.8 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