Fluorine in PDB 8t82: Racemic Mixture of Amyloid Beta Segment 35-Mvggvv-40 Forms Heterochiral Rippled Beta-Sheet, Includes Pentafluoropropionic Acid

The structure of Racemic Mixture of Amyloid Beta Segment 35-Mvggvv-40 Forms Heterochiral Rippled Beta-Sheet, Includes Pentafluoropropionic Acid, PDB code: 8t82 was solved by M.R.Sawaya, J.A.Raskatov, A.Hazari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.79 / 1.10
Space group	P 1 21/c 1
Cell size a, b, c (Å), α, β, γ (°)	9.56, 18.57, 20.83, 90, 98.4, 90
R / Rfree (%)	15.2 / 17.7

The binding sites of Fluorine atom in the Racemic Mixture of Amyloid Beta Segment 35-Mvggvv-40 Forms Heterochiral Rippled Beta-Sheet, Includes Pentafluoropropionic Acid (pdb code 8t82). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Racemic Mixture of Amyloid Beta Segment 35-Mvggvv-40 Forms Heterochiral Rippled Beta-Sheet, Includes Pentafluoropropionic Acid, PDB code: 8t82:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in the Racemic Mixture of Amyloid Beta Segment 35-Mvggvv-40 Forms Heterochiral Rippled Beta-Sheet, Includes Pentafluoropropionic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Racemic Mixture of Amyloid Beta Segment 35-Mvggvv-40 Forms Heterochiral Rippled Beta-Sheet, Includes Pentafluoropropionic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:10.1 occ:1.00 F01 A:YWK101 0.0 10.1 1.0 C01 A:YWK101 1.4 9.4 1.0 F02 A:YWK101 2.2 9.1 1.0 C02 A:YWK101 2.4 10.6 1.0 C03 A:YWK101 2.4 8.3 1.0 F04 A:YWK101 2.6 11.2 1.0 O01 A:YWK101 2.7 8.9 1.0 F05 A:YWK101 2.8 11.5 1.0 O02 A:YWK101 3.5 8.2 1.0 F03 A:YWK101 3.6 10.7 1.0 HG23 A:VAL36 4.8 7.3 1.0

Fluorine binding site 2 out of 5 in the Racemic Mixture of Amyloid Beta Segment 35-Mvggvv-40 Forms Heterochiral Rippled Beta-Sheet, Includes Pentafluoropropionic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Racemic Mixture of Amyloid Beta Segment 35-Mvggvv-40 Forms Heterochiral Rippled Beta-Sheet, Includes Pentafluoropropionic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:9.1 occ:1.00 F02 A:YWK101 0.0 9.1 1.0 C01 A:YWK101 1.4 9.4 1.0 F01 A:YWK101 2.2 10.1 1.0 C02 A:YWK101 2.3 10.6 1.0 C03 A:YWK101 2.3 8.3 1.0 F03 A:YWK101 2.7 10.7 1.0 F04 A:YWK101 2.8 11.2 1.0 O02 A:YWK101 3.0 8.2 1.0 O01 A:YWK101 3.2 8.9 1.0 F05 A:YWK101 3.5 11.5 1.0 H2 A:MET35 4.5 6.9 1.0

Fluorine binding site 3 out of 5 in the Racemic Mixture of Amyloid Beta Segment 35-Mvggvv-40 Forms Heterochiral Rippled Beta-Sheet, Includes Pentafluoropropionic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Racemic Mixture of Amyloid Beta Segment 35-Mvggvv-40 Forms Heterochiral Rippled Beta-Sheet, Includes Pentafluoropropionic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:10.7 occ:1.00 F03 A:YWK101 0.0 10.7 1.0 C02 A:YWK101 1.4 10.6 1.0 F04 A:YWK101 2.2 11.2 1.0 F05 A:YWK101 2.2 11.5 1.0 C01 A:YWK101 2.4 9.4 1.0 F02 A:YWK101 2.7 9.1 1.0 O02 A:YWK101 2.8 8.2 1.0 C03 A:YWK101 3.0 8.3 1.0 F01 A:YWK101 3.6 10.1 1.0 O01 A:YWK101 4.3 8.9 1.0 HG23 A:VAL36 4.4 7.3 1.0 H2 A:MET35 4.5 6.9 1.0 HG22 A:VAL36 4.8 7.3 1.0 CG2 A:VAL36 5.0 6.1 1.0

Fluorine binding site 4 out of 5 in the Racemic Mixture of Amyloid Beta Segment 35-Mvggvv-40 Forms Heterochiral Rippled Beta-Sheet, Includes Pentafluoropropionic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Racemic Mixture of Amyloid Beta Segment 35-Mvggvv-40 Forms Heterochiral Rippled Beta-Sheet, Includes Pentafluoropropionic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:11.2 occ:1.00 F04 A:YWK101 0.0 11.2 1.0 C02 A:YWK101 1.4 10.6 1.0 F05 A:YWK101 2.2 11.5 1.0 F03 A:YWK101 2.2 10.7 1.0 C01 A:YWK101 2.3 9.4 1.0 F01 A:YWK101 2.6 10.1 1.0 F02 A:YWK101 2.8 9.1 1.0 C03 A:YWK101 3.7 8.3 1.0 O02 A:YWK101 4.2 8.2 1.0 O01 A:YWK101 4.7 8.9 1.0

Fluorine binding site 5 out of 5 in the Racemic Mixture of Amyloid Beta Segment 35-Mvggvv-40 Forms Heterochiral Rippled Beta-Sheet, Includes Pentafluoropropionic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Racemic Mixture of Amyloid Beta Segment 35-Mvggvv-40 Forms Heterochiral Rippled Beta-Sheet, Includes Pentafluoropropionic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:11.5 occ:1.00 F05 A:YWK101 0.0 11.5 1.0 C02 A:YWK101 1.4 10.6 1.0 F04 A:YWK101 2.2 11.2 1.0 F03 A:YWK101 2.2 10.7 1.0 C01 A:YWK101 2.4 9.4 1.0 F01 A:YWK101 2.8 10.1 1.0 C03 A:YWK101 2.9 8.3 1.0 HG23 A:VAL36 3.0 7.3 1.0 O02 A:YWK101 3.1 8.2 1.0 HG21 A:VAL36 3.3 7.3 1.0 F02 A:YWK101 3.5 9.1 1.0 CG2 A:VAL36 3.5 6.1 1.0 HG22 A:VAL36 3.8 7.3 1.0 O01 A:YWK101 3.8 8.9 1.0 H2 A:MET35 4.8 6.9 1.0 CB A:VAL36 5.0 5.2 1.0

A.Hazari, M.R.Sawaya, M.Sajimon, N.Vlahakis, J.Rodriguez, D.Eisenberg, J.A.Raskatov. Racemic Peptides From Amyloid Beta and Amylin Form Rippled Beta-Sheets Rather Than Pleated Beta-Sheets. J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
PubMed: 37972334
DOI: 10.1021/JACS.3C11712