Fluorine in PDB 9n35: Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets

The structure of Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets, PDB code: 9n35 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)	11.37 / 1.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	20.92, 11.5, 9.39, 97.22, 90.77, 94.6
R / Rfree (%)	16.3 / 18.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Fluorine atom in the Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets (pdb code 9n35). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 24 binding sites of Fluorine where determined in the Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets, PDB code: 9n35:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 24 in the Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:20.4 occ:0.50 F7 A:CFH101 0.0 20.4 0.5 C1 A:CFH101 1.3 11.7 0.5 F6 A:CFH101 2.2 18.7 0.5 F5 A:CFH101 2.2 13.8 0.5 C2 A:CFH101 2.3 7.8 0.5 HG11 B:DVA36 2.4 8.9 1.0 H2 A:CFH101 2.5 7.8 0.5 O4 A:CFH101 2.6 7.8 0.5 F5 B:CFH102 3.0 15.6 1.0 CG1 B:DVA36 3.4 8.9 1.0 C3 A:CFH101 3.6 20.5 0.5 HG21 B:DVA36 3.6 8.2 1.0 HG12 B:DVA36 3.8 8.9 1.0 HG13 B:DVA36 3.8 8.9 1.0 F10 A:CFH101 3.9 16.3 0.5 O A:HOH202 4.0 11.3 1.0 F9 A:CFH101 4.1 16.4 0.5 C1 B:CFH102 4.1 12.4 1.0 F7 B:CFH102 4.2 15.4 1.0 CB B:DVA36 4.2 7.1 1.0 HB B:DVA36 4.3 7.1 1.0 CG2 B:DVA36 4.3 8.2 1.0 HA3 A:GLY38 4.3 5.8 1.0 O4 B:CFH102 4.5 13.9 1.0 F8 A:CFH101 4.6 17.7 0.5 HG22 B:DVA36 4.7 8.2 1.0 H A:GLY38 4.7 4.8 1.0 C2 B:CFH102 4.9 12.3 1.0 F9 B:CFH102 5.0 17.4 1.0 F6 B:CFH102 5.0 15.6 1.0

Fluorine binding site 2 out of 24 in the Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:13.8 occ:0.50 F5 A:CFH101 0.0 13.8 0.5 C1 A:CFH101 1.3 11.7 0.5 F6 A:CFH101 2.1 18.7 0.5 F7 A:CFH101 2.2 20.4 0.5 C2 A:CFH101 2.4 7.8 0.5 F10 A:CFH101 2.4 16.3 0.5 HG11 B:DVA36 2.7 8.9 1.0 C3 A:CFH101 2.8 20.5 0.5 HA3 A:GLY38 2.8 5.8 1.0 O4 A:CFH101 2.8 7.8 0.5 H2 A:CFH101 3.2 7.8 0.5 F9 A:CFH101 3.3 16.4 0.5 H A:GLY38 3.3 4.8 1.0 HB B:DVA36 3.3 7.1 1.0 O A:HOH202 3.4 11.3 1.0 CA A:GLY38 3.4 5.8 1.0 CG1 B:DVA36 3.5 8.9 1.0 HG12 B:DVA36 3.6 8.9 1.0 C A:GLY38 3.6 5.2 1.0 HG21 B:DVA36 3.7 8.2 1.0 HG23 A:VAL40 3.7 11.2 1.0 N A:GLY38 3.7 4.8 1.0 CB B:DVA36 3.8 7.1 1.0 O A:GLY38 3.8 6.2 1.0 F8 A:CFH101 4.0 17.7 0.5 F5 B:CFH102 4.1 15.6 1.0 N A:VAL39 4.2 5.6 1.0 CG2 B:DVA36 4.3 8.2 1.0 HG13 B:DVA36 4.3 8.9 1.0 HG21 A:VAL40 4.3 11.2 1.0 HA2 A:GLY38 4.3 5.8 1.0 F7 B:CFH102 4.4 15.4 1.0 CG2 A:VAL40 4.4 11.2 1.0 H A:VAL39 4.5 5.6 1.0 HG22 A:VAL40 4.7 11.2 1.0 HG23 B:DVA36 4.8 8.2 1.0 C1 B:CFH102 4.9 12.4 1.0 HA A:VAL39 5.0 5.7 1.0 HG22 B:DVA36 5.0 8.2 1.0

Fluorine binding site 3 out of 24 in the Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:18.7 occ:0.50 F6 A:CFH101 0.0 18.7 0.5 C1 A:CFH101 1.3 11.7 0.5 F5 A:CFH101 2.1 13.8 0.5 F7 A:CFH101 2.2 20.4 0.5 C2 A:CFH101 2.3 7.8 0.5 H2 A:CFH101 2.5 7.8 0.5 F9 A:CFH101 2.5 16.4 0.5 C3 A:CFH101 2.8 20.5 0.5 HG21 B:DVA36 2.9 8.2 1.0 HG21 A:VAL40 3.0 11.2 1.0 HG23 A:VAL40 3.0 11.2 1.0 F10 A:CFH101 3.2 16.3 0.5 HG11 B:DVA36 3.3 8.9 1.0 HG22 A:VAL40 3.3 11.2 1.0 CG2 A:VAL40 3.3 11.2 1.0 O4 A:CFH101 3.5 7.8 0.5 CG2 B:DVA36 3.8 8.2 1.0 HB B:DVA36 3.8 7.1 1.0 F8 A:CFH101 4.0 17.7 0.5 CG1 B:DVA36 4.1 8.9 1.0 CB B:DVA36 4.1 7.1 1.0 HG23 B:DVA36 4.2 8.2 1.0 HG22 B:DVA36 4.4 8.2 1.0 HG12 B:DVA36 4.6 8.9 1.0 HA3 A:GLY38 4.7 5.8 1.0 HG13 B:DVA36 4.7 8.9 1.0 CB A:VAL40 4.8 8.8 1.0

Fluorine binding site 4 out of 24 in the Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:16.3 occ:0.50 F10 A:CFH101 0.0 16.3 0.5 C3 A:CFH101 1.3 20.5 0.5 F9 A:CFH101 2.1 16.4 0.5 F8 A:CFH101 2.2 17.7 0.5 C2 A:CFH101 2.3 7.8 0.5 F5 A:CFH101 2.4 13.8 0.5 C1 A:CFH101 2.7 11.7 0.5 O4 A:CFH101 2.8 7.8 0.5 H2 A:CFH101 3.1 7.8 0.5 F6 A:CFH101 3.2 18.7 0.5 O A:GLY38 3.6 6.2 1.0 HG23 A:VAL40 3.8 11.2 1.0 O A:HOH202 3.9 11.3 1.0 H A:GLY38 3.9 4.8 1.0 F7 A:CFH101 3.9 20.4 0.5 C A:GLY38 4.2 5.2 1.0 HA3 A:GLY38 4.4 5.8 1.0 N A:GLY38 4.4 4.8 1.0 HG22 A:VAL40 4.5 11.2 1.0 CG2 A:VAL40 4.6 11.2 1.0 CA A:GLY38 4.6 5.8 1.0 HG21 A:VAL40 4.9 11.2 1.0 HA A:VAL39 5.0 5.7 1.0

Fluorine binding site 5 out of 24 in the Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:17.7 occ:0.50 F8 A:CFH101 0.0 17.7 0.5 C3 A:CFH101 1.3 20.5 0.5 F9 A:CFH101 2.1 16.4 0.5 F10 A:CFH101 2.2 16.3 0.5 C2 A:CFH101 2.4 7.8 0.5 H2 A:CFH101 2.6 7.8 0.5 O4 A:CFH101 2.9 7.8 0.5 C1 A:CFH101 3.6 11.7 0.5 F6 A:CFH101 4.0 18.7 0.5 F5 A:CFH101 4.0 13.8 0.5 F7 A:CFH101 4.6 20.4 0.5 O A:HOH202 5.0 11.3 1.0

Fluorine binding site 6 out of 24 in the Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets within 5.0Å range: probe atom residue distance (Å) B Occ A:F101 b:16.4 occ:0.50 F9 A:CFH101 0.0 16.4 0.5 C3 A:CFH101 1.3 20.5 0.5 F10 A:CFH101 2.1 16.3 0.5 F8 A:CFH101 2.1 17.7 0.5 C2 A:CFH101 2.4 7.8 0.5 F6 A:CFH101 2.5 18.7 0.5 H2 A:CFH101 2.6 7.8 0.5 C1 A:CFH101 2.8 11.7 0.5 HG22 A:VAL40 2.9 11.2 1.0 HG23 A:VAL40 3.0 11.2 1.0 F5 A:CFH101 3.3 13.8 0.5 CG2 A:VAL40 3.4 11.2 1.0 O4 A:CFH101 3.6 7.8 0.5 HG21 A:VAL40 3.8 11.2 1.0 F7 A:CFH101 4.1 20.4 0.5 HB A:VAL40 4.7 8.8 1.0 CB A:VAL40 4.7 8.8 1.0

Fluorine binding site 7 out of 24 in the Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets within 5.0Å range: probe atom residue distance (Å) B Occ A:F102 b:13.5 occ:1.00 F7 A:CFH102 0.0 13.5 1.0 C1 A:CFH102 1.3 9.9 1.0 F5 A:CFH102 2.1 12.2 1.0 F6 A:CFH102 2.2 13.2 1.0 C2 A:CFH102 2.3 7.5 1.0 H2 A:CFH102 2.6 7.5 1.0 O4 A:CFH102 2.7 7.1 1.0 H B:MED35 3.1 6.9 1.0 OXT A:VAL40 3.4 8.3 1.0 C3 A:CFH102 3.7 8.5 1.0 N B:MED35 4.0 6.9 1.0 F8 A:CFH102 4.1 11.7 1.0 F10 A:CFH102 4.1 10.2 1.0 H3 B:MED35 4.2 6.9 1.0 H2 B:MED35 4.2 6.9 1.0 F9 A:CFH102 4.7 10.9 1.0 C A:VAL40 4.7 6.3 1.0 HA B:MED35 4.8 6.6 1.0 HG13 A:VAL40 4.9 11.9 1.0

Fluorine binding site 8 out of 24 in the Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets within 5.0Å range: probe atom residue distance (Å) B Occ A:F102 b:12.2 occ:1.00 F5 A:CFH102 0.0 12.2 1.0 C1 A:CFH102 1.3 9.9 1.0 F6 A:CFH102 2.1 13.2 1.0 F7 A:CFH102 2.1 13.5 1.0 C2 A:CFH102 2.3 7.5 1.0 H B:MED35 2.6 6.9 1.0 F8 A:CFH102 2.7 11.7 1.0 O4 A:CFH102 2.8 7.1 1.0 C3 A:CFH102 2.8 8.5 1.0 H2 B:MED35 3.0 6.9 1.0 N B:MED35 3.1 6.9 1.0 H2 A:CFH102 3.2 7.5 1.0 F10 A:CFH102 3.2 10.2 1.0 H3 B:MED35 3.4 6.9 1.0 F9 A:CFH102 4.1 10.9 1.0 CA B:MED35 4.5 6.6 1.0 HA B:MED35 4.7 6.6 1.0 OXT A:VAL40 4.8 8.3 1.0

Fluorine binding site 9 out of 24 in the Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets within 5.0Å range: probe atom residue distance (Å) B Occ A:F102 b:13.2 occ:1.00 F6 A:CFH102 0.0 13.2 1.0 C1 A:CFH102 1.3 9.9 1.0 F5 A:CFH102 2.1 12.2 1.0 F7 A:CFH102 2.2 13.5 1.0 C2 A:CFH102 2.3 7.5 1.0 H2 A:CFH102 2.5 7.5 1.0 F10 A:CFH102 2.7 10.2 1.0 C3 A:CFH102 3.0 8.5 1.0 O4 A:CFH102 3.5 7.1 1.0 F8 A:CFH102 3.6 11.7 1.0 F9 A:CFH102 4.1 10.9 1.0 H B:MED35 4.4 6.9 1.0 HG13 A:VAL40 4.8 11.9 1.0 OXT A:VAL40 4.8 8.3 1.0 H2 B:MED35 4.9 6.9 1.0

Fluorine binding site 10 out of 24 in the Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Mixture of L-Peptide Fvggvv and D-Peptide Mvggvv Forms Rippled Sheets within 5.0Å range: probe atom residue distance (Å) B Occ A:F102 b:10.2 occ:1.00 F10 A:CFH102 0.0 10.2 1.0 C3 A:CFH102 1.4 8.5 1.0 F8 A:CFH102 2.1 11.7 1.0 F9 A:CFH102 2.2 10.9 1.0 C2 A:CFH102 2.4 7.5 1.0 H2 A:CFH102 2.6 7.5 1.0 F6 A:CFH102 2.7 13.2 1.0 C1 A:CFH102 2.9 9.9 1.0 F5 A:CFH102 3.2 12.2 1.0 O4 A:CFH102 3.5 7.1 1.0 HG13 A:VAL40 4.0 11.9 1.0 F7 A:CFH102 4.1 13.5 1.0 H2 B:MED35 4.7 6.9 1.0 H B:MED35 4.8 6.9 1.0 HG23 B:DVA36 4.8 8.2 1.0 CG1 A:VAL40 5.0 11.9 1.0

A.Hazari, M.R.Sawaya, H.Lee, M.Sajimon, H.Kim, W.A.Goddard Iii, D.Eisenberg, J.A.Raskatov. Formation of Rippled Beta-Sheets From Mixed Chirality Linear and Cyclic Peptides-New Structural Motifs Based on the Pauling-Corey Rippled Beta-Sheet. Chem Sci 2025.
ISSN: ISSN 2041-6520
PubMed: 40060095
DOI: 10.1039/D4SC08079C