Fluorine in PDB 8ani: Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol

The structure of Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol, PDB code: 8ani was solved by Z.Durvanger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.76 / 1.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	11.719, 23.467, 18.762, 90, 90.04, 90
R / Rfree (%)	11.4 / 15.2

The binding sites of Fluorine atom in the Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol (pdb code 8ani). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol, PDB code: 8ani:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:4.9 occ:0.27 F1 B:TFA101 0.0 4.9 0.3 F1 B:TFA101 1.0 5.3 0.7 C2 B:TFA101 1.3 5.1 0.3 C2 B:TFA101 1.3 4.9 0.7 F3 B:TFA101 1.4 5.2 0.7 F2 B:TFA101 2.1 6.8 0.3 F3 B:TFA101 2.1 7.5 0.3 C1 B:TFA101 2.4 5.0 0.3 F2 B:TFA101 2.4 7.5 0.7 C1 B:TFA101 2.5 5.1 0.7 HG22 B:ILE3 2.6 7.4 1.0 O B:TFA101 2.8 5.0 0.3 O B:TFA101 2.9 5.0 0.7 H B:TRP5 3.0 4.0 1.0 OXT B:TFA101 3.3 4.6 0.3 CG2 B:ILE3 3.5 6.1 1.0 HB2 B:TRP5 3.5 4.6 1.0 HG21 B:ILE3 3.5 7.4 1.0 OXT B:TFA101 3.6 4.4 0.7 N B:TRP5 3.7 3.3 1.0 HA B:GLN4 3.7 4.8 1.0 HB3 B:TRP5 3.8 4.6 1.0 HE1 A:TYR2 3.9 4.5 1.0 HG23 B:ILE3 4.0 7.4 1.0 CB B:TRP5 4.0 3.8 1.0 HB B:ILE3 4.2 6.0 1.0 O B:ILE3 4.3 5.3 1.0 C B:GLN4 4.3 3.5 1.0 CA B:GLN4 4.3 4.0 1.0 C B:ILE3 4.4 4.8 1.0 CB B:ILE3 4.4 5.0 1.0 CA B:TRP5 4.5 3.4 1.0 N B:GLN4 4.5 3.1 1.0 CE1 A:TYR2 4.8 3.7 1.0 HE3 B:TRP5 4.9 6.9 1.0 H B:GLN4 5.0 3.7 1.0

Fluorine binding site 2 out of 6 in the Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:5.3 occ:0.73 F1 B:TFA101 0.0 5.3 0.7 F1 B:TFA101 1.0 4.9 0.3 C2 B:TFA101 1.1 5.1 0.3 F2 B:TFA101 1.2 6.8 0.3 C2 B:TFA101 1.3 4.9 0.7 F3 B:TFA101 2.1 5.2 0.7 F2 B:TFA101 2.2 7.5 0.7 F3 B:TFA101 2.2 7.5 0.3 C1 B:TFA101 2.3 5.0 0.3 C1 B:TFA101 2.4 5.1 0.7 O B:TFA101 2.6 5.0 0.3 O B:TFA101 2.6 5.0 0.7 H B:TRP5 2.7 4.0 1.0 HB2 B:TRP5 2.9 4.6 1.0 HB3 B:TRP5 2.9 4.6 1.0 CB B:TRP5 3.3 3.8 1.0 OXT B:TFA101 3.3 4.6 0.3 N B:TRP5 3.3 3.3 1.0 HG22 B:ILE3 3.4 7.4 1.0 OXT B:TFA101 3.5 4.4 0.7 CA B:TRP5 3.9 3.4 1.0 HA B:GLN4 3.9 4.8 1.0 HE3 B:TRP5 4.1 6.9 1.0 HE1 A:TYR2 4.1 4.5 1.0 C B:GLN4 4.2 3.5 1.0 CG2 B:ILE3 4.3 6.1 1.0 HG21 B:ILE3 4.4 7.4 1.0 O B:TRP5 4.5 5.6 1.0 CA B:GLN4 4.5 4.0 1.0 CG B:TRP5 4.6 3.7 1.0 HA B:TRP5 4.6 3.9 1.0 HG23 B:ILE3 4.7 7.4 1.0 C B:TRP5 4.7 4.4 1.0 CE3 B:TRP5 4.9 5.8 1.0 HD1 A:TYR2 4.9 6.3 1.0 O B:ILE3 4.9 5.3 1.0 N B:GLN4 4.9 3.1 1.0 CE1 A:TYR2 5.0 3.7 1.0

Fluorine binding site 3 out of 6 in the Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:6.8 occ:0.27 F2 B:TFA101 0.0 6.8 0.3 F1 B:TFA101 1.2 5.3 0.7 C2 B:TFA101 1.3 5.1 0.3 C2 B:TFA101 1.7 4.9 0.7 F2 B:TFA101 1.7 7.5 0.7 F3 B:TFA101 2.1 7.5 0.3 F1 B:TFA101 2.1 4.9 0.3 C1 B:TFA101 2.4 5.0 0.3 C1 B:TFA101 2.5 5.1 0.7 HB3 B:TRP5 2.7 4.6 1.0 F3 B:TFA101 2.8 5.2 0.7 O B:TFA101 2.8 5.0 0.3 O B:TFA101 2.9 5.0 0.7 H B:TRP5 3.2 4.0 1.0 OXT B:TFA101 3.3 4.6 0.3 HB2 B:TRP5 3.3 4.6 1.0 OXT B:TFA101 3.4 4.4 0.7 CB B:TRP5 3.4 3.8 1.0 HE3 B:TRP5 3.6 6.9 1.0 N B:TRP5 3.9 3.3 1.0 CA B:TRP5 4.2 3.4 1.0 O B:TRP5 4.2 5.6 1.0 CE3 B:TRP5 4.5 5.8 1.0 CG B:TRP5 4.5 3.7 1.0 HG22 B:ILE3 4.7 7.4 1.0 C B:TRP5 4.7 4.4 1.0 HA B:GLN4 4.8 4.8 1.0 CD2 B:TRP5 4.9 4.9 1.0

Fluorine binding site 4 out of 6 in the Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:7.5 occ:0.73 F2 B:TFA101 0.0 7.5 0.7 F3 B:TFA101 0.7 7.5 0.3 C2 B:TFA101 1.3 5.1 0.3 C2 B:TFA101 1.3 4.9 0.7 F2 B:TFA101 1.7 6.8 0.3 F3 B:TFA101 2.2 5.2 0.7 F1 B:TFA101 2.2 5.3 0.7 C1 B:TFA101 2.2 5.0 0.3 C1 B:TFA101 2.4 5.1 0.7 F1 B:TFA101 2.4 4.9 0.3 OXT B:TFA101 2.4 4.6 0.3 OXT B:TFA101 2.7 4.4 0.7 O B:TFA101 3.3 5.0 0.3 O B:TFA101 3.4 5.0 0.7 H B:TRP5 4.4 4.0 1.0 HB3 B:TRP5 4.5 4.6 1.0 HB2 B:TRP5 4.9 4.6 1.0 HG22 B:ILE3 4.9 7.4 1.0

Fluorine binding site 5 out of 6 in the Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:7.5 occ:0.27 F3 B:TFA101 0.0 7.5 0.3 F2 B:TFA101 0.7 7.5 0.7 C2 B:TFA101 1.3 4.9 0.7 C2 B:TFA101 1.3 5.1 0.3 F3 B:TFA101 1.7 5.2 0.7 F2 B:TFA101 2.1 6.8 0.3 F1 B:TFA101 2.1 4.9 0.3 F1 B:TFA101 2.2 5.3 0.7 C1 B:TFA101 2.4 5.0 0.3 C1 B:TFA101 2.6 5.1 0.7 OXT B:TFA101 2.6 4.6 0.3 OXT B:TFA101 2.9 4.4 0.7 O B:TFA101 3.5 5.0 0.3 O B:TFA101 3.6 5.0 0.7 HG22 B:ILE3 4.5 7.4 1.0 H B:TRP5 4.6 4.0 1.0 HB3 B:TRP5 4.8 4.6 1.0 HB2 B:TRP5 5.0 4.6 1.0

Fluorine binding site 6 out of 6 in the Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 10% Ethanol within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:5.2 occ:0.73 F3 B:TFA101 0.0 5.2 0.7 C2 B:TFA101 1.3 4.9 0.7 F1 B:TFA101 1.4 4.9 0.3 C2 B:TFA101 1.6 5.1 0.3 F3 B:TFA101 1.7 7.5 0.3 F1 B:TFA101 2.1 5.3 0.7 F2 B:TFA101 2.2 7.5 0.7 C1 B:TFA101 2.2 5.0 0.3 C1 B:TFA101 2.4 5.1 0.7 OXT B:TFA101 2.6 4.6 0.3 F2 B:TFA101 2.8 6.8 0.3 O B:TFA101 3.0 5.0 0.3 HG22 B:ILE3 3.0 7.4 1.0 OXT B:TFA101 3.0 4.4 0.7 O B:TFA101 3.1 5.0 0.7 CG2 B:ILE3 3.8 6.1 1.0 HG21 B:ILE3 3.8 7.4 1.0 HB B:ILE3 3.8 6.0 1.0 H B:TRP5 4.0 4.0 1.0 O B:ILE3 4.0 5.3 1.0 HA B:GLN4 4.1 4.8 1.0 CB B:ILE3 4.3 5.0 1.0 C B:ILE3 4.4 4.8 1.0 HG23 B:ILE3 4.5 7.4 1.0 N B:TRP5 4.7 3.3 1.0 HB2 B:TRP5 4.8 4.6 1.0 CA B:GLN4 4.9 4.0 1.0 N B:GLN4 4.9 3.1 1.0 HB3 B:TRP5 5.0 4.6 1.0

D.Horvath, Z.Durvanger, N.Taricska, M.Sulyok-Eiler, A.Perczel. Mapping the Polymorphic Amyloid Nanostructures of Hormone Peptides Involved in Glucose Homeostasis and the Molecular Basis of Their Reversibility. To Be Published.