Fluorine in PDB 6os8: Coiled-Coil Trimer with Glu:P-Fluorophenylalanine:Lys Triad

The structure of Coiled-Coil Trimer with Glu:P-Fluorophenylalanine:Lys Triad, PDB code: 6os8 was solved by M.S.Smith, K.L.Stern, W.M.Billings, J.L.Price, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 2.15
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	39.066, 39.066, 98.623, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 27.8

The binding sites of Fluorine atom in the Coiled-Coil Trimer with Glu:P-Fluorophenylalanine:Lys Triad (pdb code 6os8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Coiled-Coil Trimer with Glu:P-Fluorophenylalanine:Lys Triad, PDB code: 6os8:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Coiled-Coil Trimer with Glu:P-Fluorophenylalanine:Lys Triad


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Coiled-Coil Trimer with Glu:P-Fluorophenylalanine:Lys Triad within 5.0Å range: probe atom residue distance (Å) B Occ A:F14 b:30.6 occ:1.00 F A:PFF14 0.0 30.6 1.0 CZ A:PFF14 1.4 31.5 1.0 CE1 A:PFF14 2.4 30.4 1.0 CE2 A:PFF14 2.4 25.1 1.0 CD A:LYS18 3.6 32.1 1.0 CG B:LYS7 3.6 34.1 1.0 CG A:LYS18 3.6 29.9 1.0 CD1 A:PFF14 3.6 24.9 1.0 CD2 A:PFF14 3.7 29.2 1.0 CG B:GLU3 3.8 38.5 1.0 CE A:LYS18 3.8 31.4 1.0 NZ A:LYS18 3.9 35.4 1.0 O B:GLU3 4.1 28.7 1.0 CD B:GLU3 4.1 41.5 1.0 CG A:PFF14 4.2 26.8 1.0 OE1 B:GLU6 4.3 28.3 1.0 N B:LYS7 4.3 26.5 1.0 CB B:GLU6 4.4 26.6 1.0 OE2 B:GLU3 4.4 45.6 1.0 CA B:LYS7 4.5 26.5 1.0 CB B:LYS7 4.6 30.2 1.0 OE1 B:GLU3 4.6 46.7 1.0 CE B:LYS7 4.6 39.3 1.0 CD B:LYS7 4.7 34.0 1.0 C B:GLU6 4.7 25.6 1.0 C B:GLU3 4.9 27.5 1.0 CB B:GLU3 4.9 38.4 1.0 CA B:GLU3 4.9 31.8 1.0 CB A:LYS18 5.0 21.5 1.0

Fluorine binding site 2 out of 2 in the Coiled-Coil Trimer with Glu:P-Fluorophenylalanine:Lys Triad


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Coiled-Coil Trimer with Glu:P-Fluorophenylalanine:Lys Triad within 5.0Å range: probe atom residue distance (Å) B Occ B:F14 b:33.5 occ:1.00 F B:PFF14 0.0 33.5 1.0 CZ B:PFF14 1.4 31.1 1.0 CE2 B:PFF14 2.4 27.4 1.0 CE1 B:PFF14 2.4 32.6 1.0 NZ B:LYS18 3.4 33.0 1.0 CG A:GLU3 3.4 34.9 1.0 CG A:LYS7 3.4 32.7 1.0 CD2 B:PFF14 3.6 31.3 1.0 CD1 B:PFF14 3.6 28.1 1.0 CD A:GLU3 3.9 37.5 1.0 O A:GLU3 4.1 26.5 1.0 CG B:PFF14 4.1 26.5 1.0 OE1 A:GLU6 4.2 26.4 1.0 CD A:LYS7 4.2 37.0 1.0 OE2 A:GLU3 4.2 41.5 1.0 N A:LYS7 4.3 28.0 1.0 CB A:GLU6 4.3 26.1 1.0 CE B:LYS18 4.3 30.6 1.0 OE1 A:GLU3 4.5 48.0 1.0 CB A:LYS7 4.5 29.1 1.0 CA A:LYS7 4.6 24.2 1.0 CB A:GLU3 4.7 32.1 1.0 CG B:LYS18 4.7 30.2 1.0 C A:GLU6 4.7 26.0 1.0 CA A:GLU3 4.8 31.9 1.0 CB B:LYS18 4.8 23.2 1.0 C A:GLU3 4.8 27.7 1.0

K.L.Stern, M.S.Smith, W.M.Billings, T.J.Loftus, B.M.Conover, D.Della Corte, J.L.Price. Context-Dependent Stabilizing Interactions Among Solvent-Exposed Residues Along the Surface of A Trimeric Helix Bundle. Biochemistry 2020.
ISSN: ISSN 0006-2960
PubMed: 32270676
DOI: 10.1021/ACS.BIOCHEM.0C00045