Fluorine in PDB 5hxf: Crystal Structure of 3C Protease From A Mild Human Enterovirus 71 in Complex with Rupintrivir

The structure of Crystal Structure of 3C Protease From A Mild Human Enterovirus 71 in Complex with Rupintrivir, PDB code: 5hxf was solved by B.Li, Z.Yuan, L.Qin, L.Gu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.22 / 1.39
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.209, 64.781, 38.323, 90.00, 113.06, 90.00
R / Rfree (%)	17.4 / 19.9

The binding sites of Fluorine atom in the Crystal Structure of 3C Protease From A Mild Human Enterovirus 71 in Complex with Rupintrivir (pdb code 5hxf). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of 3C Protease From A Mild Human Enterovirus 71 in Complex with Rupintrivir, PDB code: 5hxf:

Fluorine binding site 1 out of 1 in the Crystal Structure of 3C Protease From A Mild Human Enterovirus 71 in Complex with Rupintrivir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of 3C Protease From A Mild Human Enterovirus 71 in Complex with Rupintrivir within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:27.6 occ:1.00 F1 A:AG7201 0.0 27.6 1.0 C09 A:AG7201 1.4 31.7 1.0 C10 A:AG7201 2.4 32.2 1.0 C08 A:AG7201 2.4 20.7 1.0 OE1 A:GLU72 3.1 23.2 1.0 O A:HOH321 3.1 27.2 1.0 CB A:LYS131 3.1 16.5 1.0 CD A:GLU72 3.4 16.8 1.0 O A:LEU128 3.5 14.1 0.6 O A:LEU128 3.5 14.1 0.4 CG A:LYS131 3.6 23.0 1.0 C07 A:AG7201 3.7 23.9 1.0 C11 A:AG7201 3.7 24.5 1.0 CG A:GLU72 3.7 17.5 1.0 CB A:LEU128 3.7 15.2 0.6 CB A:LEU128 3.8 18.9 0.4 OE2 A:GLU72 4.1 24.8 1.0 O A:LYS131 4.1 18.3 1.0 C06 A:AG7201 4.1 20.6 1.0 CB A:GLU72 4.2 13.4 1.0 O4 A:SO4203 4.3 37.5 1.0 CA A:LYS131 4.3 15.9 1.0 CD A:LYS131 4.4 44.3 1.0 C A:LEU128 4.4 13.7 0.6 C A:LEU128 4.5 13.8 0.4 C A:LYS131 4.6 16.4 1.0 CD1 A:LEU128 4.6 16.8 0.6 CA A:LEU128 4.6 13.4 0.6 CA A:LEU128 4.7 13.2 0.4 CG A:LEU128 4.7 30.4 0.6 CD1 A:LEU128 4.8 17.1 0.4 N A:LYS131 4.8 15.1 1.0 O A:HOH418 4.9 16.3 1.0 CG A:LEU128 4.9 17.7 0.4

B.Li, Y.Yue, Y.Zhang, Z.Yuan, Y.Liu, P.Li, N.Song, Z.Li, L.Gu, L.Qin. Crystal Structure of 3C Protease From A Mild Human Enterovirus 71 in Complex with Rupintrivir To Be Published.