Fluorine in PDB 1cqq: Type 2 Rhinovirus 3C Protease with AG7088 Inhibitor

The structure of Type 2 Rhinovirus 3C Protease with AG7088 Inhibitor, PDB code: 1cqq was solved by D.Matthews, R.A.Ferre, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.300, 65.700, 77.900, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Fluorine atom in the Type 2 Rhinovirus 3C Protease with AG7088 Inhibitor (pdb code 1cqq). 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 Type 2 Rhinovirus 3C Protease with AG7088 Inhibitor, PDB code: 1cqq:

Fluorine binding site 1 out of 1 in the Type 2 Rhinovirus 3C Protease with AG7088 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Type 2 Rhinovirus 3C Protease with AG7088 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:18.9 occ:1.00 F1 A:AG7501 0.0 18.9 1.0 C09 A:AG7501 1.3 15.0 1.0 C10 A:AG7501 2.3 13.3 1.0 C08 A:AG7501 2.4 14.8 1.0 H33 A:AG7501 2.6 15.0 0.0 H31 A:AG7501 2.6 15.0 0.0 HD21 A:ASN130 3.3 15.0 0.0 OE2 A:GLU71 3.5 20.7 1.0 H1 A:HOH682 3.6 15.0 0.0 C11 A:AG7501 3.6 14.4 1.0 CB A:ASN130 3.6 15.3 1.0 C07 A:AG7501 3.6 14.2 1.0 O A:HOH682 3.8 34.1 1.0 ND2 A:ASN130 3.8 12.0 1.0 H2 A:HOH832 3.8 15.0 0.0 CB A:LEU127 3.8 14.4 1.0 O A:LEU127 3.8 14.0 1.0 CG A:ASN130 4.0 15.2 1.0 C06 A:AG7501 4.1 13.6 1.0 CD A:GLU71 4.1 21.6 1.0 O A:HOH832 4.2 35.5 1.0 OG1 A:THR132 4.4 13.3 1.0 OE1 A:GLU71 4.5 19.6 1.0 HD22 A:ASN130 4.5 15.0 0.0 HG1 A:THR132 4.5 15.0 0.0 H34 A:AG7501 4.5 15.0 0.0 CG A:LEU127 4.5 15.8 1.0 H30 A:AG7501 4.5 15.0 0.0 C A:LEU127 4.5 13.1 1.0 CD2 A:LEU127 4.5 15.3 1.0 H2 A:HOH682 4.7 15.0 0.0 H A:ASN130 4.7 15.0 0.0 H1 A:HOH832 4.7 15.0 0.0 CA A:LEU127 4.7 13.6 1.0 O A:ASN130 4.8 14.6 1.0 CA A:ASN130 4.9 15.7 1.0 HD1 A:HIS40 4.9 15.0 0.0 H A:LEU127 5.0 15.0 0.0 OD1 A:ASN130 5.0 20.2 1.0

D.A.Matthews, P.S.Dragovich, S.E.Webber, S.A.Fuhrman, A.K.Patick, L.S.Zalman, T.F.Hendrickson, R.A.Love, T.J.Prins, J.T.Marakovits, R.Zhou, J.Tikhe, C.E.Ford, J.W.Meador, R.A.Ferre, E.L.Brown, S.L.Binford, M.A.Brothers, D.M.Delisle, S.T.Worland. Structure-Assisted Design of Mechanism-Based Irreversible Inhibitors of Human Rhinovirus 3C Protease with Potent Antiviral Activity Against Multiple Rhinovirus Serotypes. Proc.Natl.Acad.Sci.Usa V. 96 11000 1999.
ISSN: ISSN 0027-8424
PubMed: 10500114
DOI: 10.1073/PNAS.96.20.11000