Fluorine in PDB 8w3c: Crystal Structure of Enterovirus 68 3C Protease with AG7088 at 1.97 Angstroms

All present enzymatic activity of Crystal Structure of Enterovirus 68 3C Protease with AG7088 at 1.97 Angstroms:
2.7.7.48; 3.4.22.28; 3.4.22.29; 3.6.1.15;

The structure of Crystal Structure of Enterovirus 68 3C Protease with AG7088 at 1.97 Angstroms, PDB code: 8w3c was solved by V.N.Azzolino, A.M.Shaqra, C.A.Schiffer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.12 / 1.97
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	56.431, 56.431, 170.482, 90, 90, 120
R / Rfree (%)	20.9 / 23.1

The binding sites of Fluorine atom in the Crystal Structure of Enterovirus 68 3C Protease with AG7088 at 1.97 Angstroms (pdb code 8w3c). 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 Enterovirus 68 3C Protease with AG7088 at 1.97 Angstroms, PDB code: 8w3c:

Fluorine binding site 1 out of 1 in the Crystal Structure of Enterovirus 68 3C Protease with AG7088 at 1.97 Angstroms


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 Enterovirus 68 3C Protease with AG7088 at 1.97 Angstroms within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:63.5 occ:1.00 F1 A:AG7201 0.0 63.5 1.0 C09 A:AG7201 1.4 56.7 1.0 C10 A:AG7201 2.4 59.2 1.0 C08 A:AG7201 2.4 57.1 1.0 H33 A:AG7201 2.6 71.1 1.0 H31 A:AG7201 2.6 68.5 1.0 OG1 A:THR130 2.9 56.3 1.0 CB A:THR130 3.1 53.0 1.0 O A:HOH419 3.2 59.5 1.0 O A:LEU127 3.3 55.7 1.0 O A:HOH313 3.3 55.6 1.0 C11 A:AG7201 3.6 59.3 1.0 C07 A:AG7201 3.6 57.1 1.0 CG2 A:THR130 3.9 50.6 1.0 C06 A:AG7201 4.2 56.5 1.0 CA A:THR130 4.3 53.2 1.0 N A:THR130 4.4 56.1 1.0 C A:LEU127 4.4 56.7 1.0 OE1 A:GLU71 4.5 48.3 1.0 O A:GLY128 4.5 57.0 1.0 H34 A:AG7201 4.5 71.2 1.0 H30 A:AG7201 4.5 68.5 1.0 CD2 A:HIS40 4.6 61.5 1.0 CB A:LEU127 4.7 50.9 1.0 CG A:LEU127 4.8 51.2 1.0 C A:GLY128 4.9 56.8 1.0 ND2 A:ASN69 4.9 45.9 1.0

V.N.Azzolino, A.M.Shaqra, A.Ali, N.K.Yilmaz, C.A.Schiffer. Structural Analysis of Inhibitor Binding to Enterovirus-D68 3C Protease Viruses 2025.
ISSN: ESSN 1999-4915
DOI: 10.3390/V17010075