Fluorine in PDB 8anh: Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 30% Acetonitrile

The structure of Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 30% Acetonitrile, PDB code: 8anh was solved by Z.Durvanger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.56 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	11.744, 23.164, 18.715, 90, 90.23, 90
R / Rfree (%)	9.8 / 13.7

The binding sites of Fluorine atom in the Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 30% Acetonitrile (pdb code 8anh). 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 30% Acetonitrile, PDB code: 8anh:
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 30% Acetonitrile


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 30% Acetonitrile within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:6.4 occ:0.60 F1 B:TFA101 0.0 6.4 0.6 F1 B:TFA101 0.8 5.1 0.4 C2 B:TFA101 1.3 6.2 0.4 C2 B:TFA101 1.3 5.4 0.6 F3 B:TFA101 1.6 8.2 0.4 F3 B:TFA101 2.1 6.8 0.6 F2 B:TFA101 2.1 8.7 0.6 C1 B:TFA101 2.3 5.1 0.4 C1 B:TFA101 2.4 5.1 0.6 F2 B:TFA101 2.4 6.4 0.4 OXT B:TFA101 2.6 4.1 0.4 OXT B:TFA101 2.7 4.6 0.6 O B:TFA101 3.3 4.2 0.4 O B:TFA101 3.4 4.5 0.6 H B:TRP5 4.4 4.0 1.0 HB3 B:TRP5 4.4 5.2 1.0 HB2 B:TRP5 4.8 5.2 1.0

Fluorine binding site 2 out of 6 in the Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 30% Acetonitrile


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 30% Acetonitrile within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:5.1 occ:0.40 F1 B:TFA101 0.0 5.1 0.4 F1 B:TFA101 0.8 6.4 0.6 C2 B:TFA101 1.3 5.4 0.6 C2 B:TFA101 1.3 6.2 0.4 F2 B:TFA101 1.5 8.7 0.6 F2 B:TFA101 2.1 6.4 0.4 F3 B:TFA101 2.1 8.2 0.4 F3 B:TFA101 2.2 6.8 0.6 C1 B:TFA101 2.4 5.1 0.4 C1 B:TFA101 2.5 5.1 0.6 OXT B:TFA101 2.6 4.1 0.4 OXT B:TFA101 2.8 4.6 0.6 O B:TFA101 3.5 4.2 0.4 O B:TFA101 3.6 4.5 0.6 H B:TRP5 4.6 4.0 1.0 HG22 B:ILE3 4.7 9.0 1.0 HB3 B:TRP5 4.9 5.2 1.0

Fluorine binding site 3 out of 6 in the Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 30% Acetonitrile


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 30% Acetonitrile within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:8.7 occ:0.60 F2 B:TFA101 0.0 8.7 0.6 C2 B:TFA101 1.3 5.4 0.6 F2 B:TFA101 1.3 6.4 0.4 F1 B:TFA101 1.5 5.1 0.4 C2 B:TFA101 1.5 6.2 0.4 F3 B:TFA101 2.1 6.8 0.6 F1 B:TFA101 2.1 6.4 0.6 C1 B:TFA101 2.3 5.1 0.4 C1 B:TFA101 2.4 5.1 0.6 OXT B:TFA101 2.7 4.1 0.4 F3 B:TFA101 2.7 8.2 0.4 OXT B:TFA101 3.0 4.6 0.6 O B:TFA101 3.1 4.5 0.6 O B:TFA101 3.2 4.2 0.4 HG22 B:ILE3 3.3 9.0 1.0 O B:ILE3 3.9 4.4 1.0 HA B:GLN4 3.9 3.9 1.0 HB B:ILE3 4.0 6.6 1.0 H B:TRP5 4.0 4.0 1.0 CG2 B:ILE3 4.1 7.5 1.0 HG21 B:ILE3 4.1 9.0 1.0 C B:ILE3 4.4 3.6 1.0 CB B:ILE3 4.5 5.5 1.0 N B:TRP5 4.7 3.3 1.0 CA B:GLN4 4.7 3.2 1.0 N B:GLN4 4.8 4.0 1.0 HB2 B:TRP5 4.8 5.2 1.0 HG23 B:ILE3 4.9 9.0 1.0 HB3 B:TRP5 5.0 5.2 1.0

Fluorine binding site 4 out of 6 in the Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 30% Acetonitrile


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 30% Acetonitrile within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:6.4 occ:0.40 F2 B:TFA101 0.0 6.4 0.4 F3 B:TFA101 1.0 6.8 0.6 C2 B:TFA101 1.3 5.4 0.6 C2 B:TFA101 1.3 6.2 0.4 F2 B:TFA101 1.3 8.7 0.6 F3 B:TFA101 2.1 8.2 0.4 F1 B:TFA101 2.1 5.1 0.4 C1 B:TFA101 2.3 5.1 0.6 C1 B:TFA101 2.4 5.1 0.4 F1 B:TFA101 2.4 6.4 0.6 O B:TFA101 2.6 4.5 0.6 O B:TFA101 2.8 4.2 0.4 HG22 B:ILE3 2.9 9.0 1.0 H B:TRP5 2.9 4.0 1.0 OXT B:TFA101 3.3 4.1 0.4 HA B:GLN4 3.3 3.9 1.0 OXT B:TFA101 3.4 4.6 0.6 HB2 B:TRP5 3.5 5.2 1.0 N B:TRP5 3.5 3.3 1.0 CG2 B:ILE3 3.7 7.5 1.0 HB3 B:TRP5 3.8 5.2 1.0 HG21 B:ILE3 3.9 9.0 1.0 O B:ILE3 3.9 4.4 1.0 CA B:GLN4 4.0 3.2 1.0 CB B:TRP5 4.0 4.3 1.0 C B:GLN4 4.1 4.1 1.0 C B:ILE3 4.2 3.6 1.0 N B:GLN4 4.2 4.0 1.0 HE1 A:TYR2 4.2 5.9 1.0 HB B:ILE3 4.3 6.6 1.0 HG23 B:ILE3 4.4 9.0 1.0 CA B:TRP5 4.4 4.2 1.0 CB B:ILE3 4.5 5.5 1.0 H B:GLN4 4.7 4.8 1.0

Fluorine binding site 5 out of 6 in the Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 30% Acetonitrile


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 30% Acetonitrile within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:6.8 occ:0.60 F3 B:TFA101 0.0 6.8 0.6 F2 B:TFA101 1.0 6.4 0.4 F3 B:TFA101 1.2 8.2 0.4 C2 B:TFA101 1.2 6.2 0.4 C2 B:TFA101 1.3 5.4 0.6 F2 B:TFA101 2.1 8.7 0.6 F1 B:TFA101 2.1 6.4 0.6 F1 B:TFA101 2.2 5.1 0.4 C1 B:TFA101 2.4 5.1 0.6 C1 B:TFA101 2.4 5.1 0.4 O B:TFA101 2.7 4.5 0.6 H B:TRP5 2.7 4.0 1.0 O B:TFA101 2.8 4.2 0.4 HB2 B:TRP5 2.9 5.2 1.0 HB3 B:TRP5 2.9 5.2 1.0 CB B:TRP5 3.3 4.3 1.0 N B:TRP5 3.3 3.3 1.0 OXT B:TFA101 3.5 4.6 0.6 OXT B:TFA101 3.5 4.1 0.4 HG22 B:ILE3 3.7 9.0 1.0 HA B:GLN4 3.8 3.9 1.0 CA B:TRP5 3.9 4.2 1.0 HE3 B:TRP5 4.1 7.1 1.0 C B:GLN4 4.2 4.1 1.0 HE1 A:TYR2 4.3 5.9 1.0 CA B:GLN4 4.4 3.2 1.0 O B:TRP5 4.5 5.9 1.0 CG2 B:ILE3 4.5 7.5 1.0 HG21 B:ILE3 4.6 9.0 1.0 CG B:TRP5 4.6 4.5 1.0 HA B:TRP5 4.6 5.0 1.0 C B:TRP5 4.7 5.6 1.0 O B:ILE3 4.8 4.4 1.0 N B:GLN4 4.9 4.0 1.0 CE3 B:TRP5 4.9 5.9 1.0 HD1 A:TYR2 5.0 5.4 1.0

Fluorine binding site 6 out of 6 in the Structure of the Amyloid-Forming Peptide Lyiqwl From TC5B, Grown From 30% Acetonitrile


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 30% Acetonitrile within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:8.2 occ:0.40 F3 B:TFA101 0.0 8.2 0.4 F3 B:TFA101 1.2 6.8 0.6 C2 B:TFA101 1.3 6.2 0.4 C2 B:TFA101 1.5 5.4 0.6 F1 B:TFA101 1.6 6.4 0.6 F2 B:TFA101 2.1 6.4 0.4 F1 B:TFA101 2.1 5.1 0.4 C1 B:TFA101 2.4 5.1 0.4 C1 B:TFA101 2.4 5.1 0.6 F2 B:TFA101 2.7 8.7 0.6 HB3 B:TRP5 2.8 5.2 1.0 O B:TFA101 2.8 4.2 0.4 O B:TFA101 2.9 4.5 0.6 OXT B:TFA101 3.2 4.6 0.6 H B:TRP5 3.3 4.0 1.0 OXT B:TFA101 3.3 4.1 0.4 HB2 B:TRP5 3.3 5.2 1.0 CB B:TRP5 3.5 4.3 1.0 HE3 B:TRP5 3.8 7.1 1.0 N B:TRP5 3.9 3.3 1.0 CA B:TRP5 4.2 4.2 1.0 O B:TRP5 4.3 5.9 1.0 HA B:GLN4 4.6 3.9 1.0 CE3 B:TRP5 4.6 5.9 1.0 CG B:TRP5 4.7 4.5 1.0 C B:TRP5 4.8 5.6 1.0 HG22 B:ILE3 4.8 9.0 1.0 C B:GLN4 5.0 4.1 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.