Fluorine in PDB 6c3f: Amyloid Forming Peptide Iykvei From Transthyretin

The structure of Amyloid Forming Peptide Iykvei From Transthyretin, PDB code: 6c3f was solved by L.Saelices, M.R.Sawaya, D.S.Eisenberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.95 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	9.600, 29.450, 16.030, 90.00, 95.66, 90.00
R / Rfree (%)	20.5 / 26.2

The binding sites of Fluorine atom in the Amyloid Forming Peptide Iykvei From Transthyretin (pdb code 6c3f). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Amyloid Forming Peptide Iykvei From Transthyretin, PDB code: 6c3f:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Amyloid Forming Peptide Iykvei From Transthyretin


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Amyloid Forming Peptide Iykvei From Transthyretin within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:17.9 occ:1.00 F1 A:TFA101 0.0 17.9 1.0 C2 A:TFA101 1.3 13.9 1.0 F2 A:TFA101 2.2 12.1 1.0 F3 A:TFA101 2.2 14.2 1.0 C1 A:TFA101 2.3 14.4 1.0 OXT A:TFA101 2.6 14.5 1.0 O A:TFA101 3.5 13.2 1.0 OXT B:ILE6 4.8 17.9 1.0

Fluorine binding site 2 out of 3 in the Amyloid Forming Peptide Iykvei From Transthyretin


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Amyloid Forming Peptide Iykvei From Transthyretin within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:12.1 occ:1.00 F2 A:TFA101 0.0 12.1 1.0 C2 A:TFA101 1.3 13.9 1.0 F3 A:TFA101 2.2 14.2 1.0 F1 A:TFA101 2.2 17.9 1.0 C1 A:TFA101 2.3 14.4 1.0 O A:TFA101 2.9 13.2 1.0 OXT A:TFA101 3.3 14.5 1.0 CG2 B:ILE6 3.6 9.3 1.0 OXT B:ILE6 4.8 17.9 1.0 CG1 A:ILE1 4.9 13.3 1.0

Fluorine binding site 3 out of 3 in the Amyloid Forming Peptide Iykvei From Transthyretin


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Amyloid Forming Peptide Iykvei From Transthyretin within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:14.2 occ:1.00 F3 A:TFA101 0.0 14.2 1.0 C2 A:TFA101 1.3 13.9 1.0 F2 A:TFA101 2.2 12.1 1.0 F1 A:TFA101 2.2 17.9 1.0 C1 A:TFA101 2.3 14.4 1.0 O A:TFA101 2.8 13.2 1.0 OXT B:ILE6 3.3 17.9 1.0 OXT A:TFA101 3.3 14.5 1.0 O B:HOH101 3.6 16.9 1.0 CG2 B:ILE6 3.7 9.3 1.0 CG1 A:ILE1 3.7 13.3 1.0 CD1 A:ILE1 4.1 10.0 1.0 C B:ILE6 4.2 11.1 1.0 CA B:ILE6 4.8 6.8 1.0 CB B:ILE6 4.9 9.3 1.0

L.Saelices, S.A.Sievers, M.R.Sawaya, D.S.Eisenberg. Crystal Structures of Amyloidogenic Segments of Human Transthyretin. Protein Sci. V. 27 1295 2018.
ISSN: ESSN 1469-896X
PubMed: 29626847
DOI: 10.1002/PRO.3420