Fluorine in PDB 7ltu: Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1

The structure of Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1, PDB code: 7ltu was solved by C.-T.Zee, M.R.Sawaya, J.A.Rodriguez, D.S.Eisenberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.47 / 1.12
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	9.45, 11.34, 20.27, 74.88, 79.13, 67.77
R / Rfree (%)	15.5 / 19.5

The binding sites of Fluorine atom in the Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1 (pdb code 7ltu). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1, PDB code: 7ltu:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in the Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:32.0 occ:1.00 F1 A:TFA301 0.0 32.0 1.0 C2 A:TFA301 1.3 22.3 1.0 F3 A:TFA301 2.1 31.9 1.0 F2 A:TFA301 2.1 27.2 1.0 C1 A:TFA301 2.3 16.5 1.0 OXT A:TFA301 2.9 21.2 1.0 O A:TFA301 3.1 14.0 1.0 HB2 A:ALA217 3.2 9.5 1.0 H3 A:ALA217 3.8 9.6 1.0 H1 A:ALA217 4.0 9.7 1.0 HA A:ALA217 4.1 9.0 1.0 CB A:ALA217 4.1 9.4 1.0 N A:ALA217 4.2 9.8 1.0 CA A:ALA217 4.4 8.9 1.0 HB1 A:ALA217 4.6 9.3 1.0 HB3 A:ALA217 4.7 9.4 1.0

Fluorine binding site 2 out of 9 in the Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:27.2 occ:1.00 F2 A:TFA301 0.0 27.2 1.0 C2 A:TFA301 1.3 22.3 1.0 F3 A:TFA301 2.1 31.9 1.0 F1 A:TFA301 2.1 32.0 1.0 H3 A:ALA217 2.3 9.6 1.0 C1 A:TFA301 2.4 16.5 1.0 O A:TFA301 2.6 14.0 1.0 H1 A:ALA217 3.1 9.7 1.0 N A:ALA217 3.1 9.8 1.0 O A:TFA302 3.4 18.3 1.0 OXT A:TFA301 3.4 21.2 1.0 HA A:ALA217 3.4 9.0 1.0 HB2 A:ALA217 3.6 9.5 1.0 CA A:ALA217 3.7 8.9 1.0 H2 A:ALA217 3.8 10.0 1.0 CB A:ALA217 4.2 9.4 1.0 C1 A:TFA302 4.5 15.8 1.0 HB3 A:ALA217 4.7 9.4 1.0 HB1 A:ALA217 4.9 9.3 1.0

Fluorine binding site 3 out of 9 in the Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:31.9 occ:1.00 F3 A:TFA301 0.0 31.9 1.0 C2 A:TFA301 1.3 22.3 1.0 F1 A:TFA301 2.1 32.0 1.0 F2 A:TFA301 2.1 27.2 1.0 C1 A:TFA301 2.4 16.5 1.0 OXT A:TFA301 2.6 21.2 1.0 O A:TFA301 3.4 14.0 1.0 H3 A:ALA217 4.3 9.6 1.0 H1 A:ALA217 4.7 9.7 1.0 HB2 A:ALA217 4.9 9.5 1.0 N A:ALA217 5.0 9.8 1.0

Fluorine binding site 4 out of 9 in the Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:20.8 occ:1.00 F1 A:TFA302 0.0 20.8 1.0 C2 A:TFA302 1.3 15.5 1.0 F2 A:TFA302 2.1 20.2 1.0 F3 A:TFA302 2.1 20.0 1.0 C1 A:TFA302 2.4 15.8 1.0 OXT A:TFA302 2.7 19.0 1.0 HB2 A:ALA218 3.2 11.1 1.0 HD21 B:LEU221 3.3 16.0 1.0 O A:TFA302 3.4 18.3 1.0 HB3 A:ALA218 4.0 10.8 1.0 CB A:ALA218 4.0 11.1 1.0 CD2 B:LEU221 4.1 16.5 1.0 HD22 B:LEU221 4.2 15.8 1.0 HD23 B:LEU221 4.3 15.7 1.0 HB1 A:ALA218 4.4 10.8 1.0 H2 A:ALA217 4.6 10.0 1.0 O A:ALA217 4.7 10.2 1.0 C A:ALA217 4.9 8.8 1.0 H3 A:ALA217 5.0 9.6 1.0

Fluorine binding site 5 out of 9 in the Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:20.2 occ:1.00 F2 A:TFA302 0.0 20.2 1.0 C2 A:TFA302 1.3 15.5 1.0 F1 A:TFA302 2.1 20.8 1.0 F3 A:TFA302 2.2 20.0 1.0 C1 A:TFA302 2.4 15.8 1.0 H2 A:ALA217 2.5 10.0 1.0 O A:TFA302 2.6 18.3 1.0 O A:ALA217 3.1 10.2 1.0 HB2 A:ALA218 3.1 11.1 1.0 H3 A:ALA217 3.3 9.6 1.0 N A:ALA217 3.3 9.8 1.0 HD21 B:LEU221 3.3 16.0 1.0 OXT A:TFA302 3.5 19.0 1.0 C A:ALA217 3.5 8.8 1.0 CA A:ALA217 3.9 8.9 1.0 H1 A:ALA217 4.0 9.7 1.0 CB A:ALA218 4.0 11.1 1.0 HA A:ALA217 4.1 9.0 1.0 CD2 B:LEU221 4.2 16.5 1.0 HB3 B:LEU221 4.2 12.3 1.0 HD23 B:LEU221 4.2 15.7 1.0 HB3 A:ALA218 4.3 10.8 1.0 N A:ALA218 4.3 9.2 1.0 HA B:LEU221 4.3 11.6 1.0 H B:LEU222 4.4 10.1 1.0 O B:LEU222 4.6 14.3 1.0 CA A:ALA218 4.6 9.4 1.0 HB1 A:ALA218 4.7 10.8 1.0 HA A:ALA218 4.7 9.4 1.0 HD22 B:LEU221 4.7 15.8 1.0 CB B:LEU221 4.9 12.2 1.0 H A:ALA218 4.9 9.0 1.0

Fluorine binding site 6 out of 9 in the Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:20.0 occ:1.00 F3 A:TFA302 0.0 20.0 1.0 C2 A:TFA302 1.3 15.5 1.0 F1 A:TFA302 2.1 20.8 1.0 F2 A:TFA302 2.2 20.2 1.0 C1 A:TFA302 2.4 15.8 1.0 OXT A:TFA302 3.0 19.0 1.0 O A:TFA302 3.1 18.3 1.0 H2 A:ALA217 4.2 10.0 1.0 H3 A:ALA217 4.4 9.6 1.0 HD21 B:LEU221 4.4 16.0 1.0 N A:ALA217 4.8 9.8 1.0 HB2 A:ALA218 4.8 11.1 1.0

Fluorine binding site 7 out of 9 in the Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:26.3 occ:1.00 F1 B:TFA301 0.0 26.3 1.0 C2 B:TFA301 1.3 17.5 1.0 F2 B:TFA301 2.1 20.9 1.0 F3 B:TFA301 2.1 25.7 1.0 C1 B:TFA301 2.3 19.6 1.0 O B:TFA301 2.7 23.2 1.0 OXT B:TFA301 3.3 20.2 1.0 HD13 A:LEU221 3.7 14.8 1.0 HB3 A:LEU221 4.1 12.2 1.0 H3 B:ALA217 4.1 11.6 1.0 HD11 A:LEU221 4.2 14.6 1.0 HB2 A:LEU221 4.4 12.2 1.0 CD1 A:LEU221 4.4 14.8 1.0 HA B:ALA217 4.6 11.0 1.0 CB A:LEU221 4.7 12.4 1.0 N B:ALA217 4.9 11.7 1.0 H2 B:ALA217 5.0 11.6 1.0

Fluorine binding site 8 out of 9 in the Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:20.9 occ:1.00 F2 B:TFA301 0.0 20.9 1.0 C2 B:TFA301 1.3 17.5 1.0 F1 B:TFA301 2.1 26.3 1.0 F3 B:TFA301 2.1 25.7 1.0 C1 B:TFA301 2.3 19.6 1.0 OXT B:TFA301 2.5 20.2 1.0 HA B:ALA217 2.9 11.0 1.0 HB2 A:LEU221 3.0 12.2 1.0 H3 B:ALA217 3.1 11.6 1.0 HB3 A:LEU221 3.4 12.2 1.0 HD11 A:LEU221 3.4 14.6 1.0 O B:TFA301 3.4 23.2 1.0 CA B:ALA217 3.5 10.8 1.0 HB2 B:ALA218 3.5 10.6 1.0 HB3 B:ALA218 3.5 10.6 1.0 N B:ALA217 3.6 11.7 1.0 H2 B:ALA217 3.6 11.6 1.0 C B:ALA217 3.6 10.8 1.0 CB A:LEU221 3.7 12.4 1.0 HD13 A:LEU221 3.7 14.8 1.0 N B:ALA218 3.7 10.5 1.0 H B:ALA218 3.8 10.5 1.0 CB B:ALA218 3.9 10.6 1.0 CD1 A:LEU221 4.0 14.8 1.0 O B:ALA217 4.1 11.2 1.0 O A:LEU221 4.3 9.4 1.0 H1 B:ALA217 4.4 11.6 1.0 CG A:LEU221 4.5 14.3 1.0 CA B:ALA218 4.5 10.0 1.0 C A:LEU221 4.6 8.8 1.0 CA A:LEU221 4.8 10.2 1.0 HB1 B:ALA218 4.8 10.6 1.0 HD12 A:LEU221 4.8 14.9 1.0 CB B:ALA217 4.9 11.1 1.0 HG A:LEU221 5.0 14.6 1.0

Fluorine binding site 9 out of 9 in the Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:25.7 occ:1.00 F3 B:TFA301 0.0 25.7 1.0 C2 B:TFA301 1.3 17.5 1.0 F2 B:TFA301 2.1 20.9 1.0 F1 B:TFA301 2.1 26.3 1.0 C1 B:TFA301 2.4 19.6 1.0 O B:TFA301 2.9 23.2 1.0 HD11 A:LEU221 2.9 14.6 1.0 HD13 A:LEU221 3.2 14.8 1.0 OXT B:TFA301 3.2 20.2 1.0 CD1 A:LEU221 3.5 14.8 1.0 HB2 B:ALA218 3.9 10.6 1.0 HB3 B:ALA218 3.9 10.6 1.0 HB2 A:LEU221 4.0 12.2 1.0 HD12 A:LEU221 4.1 14.9 1.0 HB3 A:LEU221 4.3 12.2 1.0 CB B:ALA218 4.4 10.6 1.0 CB A:LEU221 4.5 12.4 1.0 CG A:LEU221 4.6 14.3 1.0 H3 B:ALA217 4.9 11.6 1.0 HB1 B:ALA218 4.9 10.6 1.0 HA B:ALA217 5.0 11.0 1.0

E.Tayeb-Fligelman, X.Cheng, C.Tai, J.T.Bowler, S.Griner, M.R.Sawaya, P.M.Seidler, Y.X.Jiang, J.Lu, G.M.Rosenberg, L.Salwinski, R.Abskharon, C.T.Zee, K.Hou, Y.Li, D.R.Boyer, K.A.Murray, G.Falcon, D.H.Anderson, D.Cascio, L.Saelices, R.Damoiseaux, F.Guo, D.S.Eisenberg. Inhibition of Amyloid Formation of the Nucleoprotein of Sars-Cov-2 Biorxiv 2021.
DOI: 10.1101/2021.03.05.434000