Fluorine in PDB 8fu3: Structure of Respiratory Syncytial Virus Polymerase with Novel Non- Nucleoside Inhibitor

All present enzymatic activity of Structure of Respiratory Syncytial Virus Polymerase with Novel Non- Nucleoside Inhibitor:
2.1.1.56; 2.7.7.48; 2.7.7.88;

The binding sites of Fluorine atom in the Structure of Respiratory Syncytial Virus Polymerase with Novel Non- Nucleoside Inhibitor (pdb code 8fu3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Structure of Respiratory Syncytial Virus Polymerase with Novel Non- Nucleoside Inhibitor, PDB code: 8fu3:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in the Structure of Respiratory Syncytial Virus Polymerase with Novel Non- Nucleoside Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Respiratory Syncytial Virus Polymerase with Novel Non- Nucleoside Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F2201 b:82.9 occ:1.00 F24 A:YBK2201 0.0 82.9 1.0 C23 A:YBK2201 1.4 75.9 1.0 C22 A:YBK2201 2.4 74.6 1.0 C25 A:YBK2201 2.4 74.4 1.0 O37 A:YBK2201 2.6 84.9 1.0 C34 A:YBK2201 2.9 78.7 1.0 C27 A:YBK2201 2.9 74.9 1.0 OD1 A:ASN1369 3.0 89.5 1.0 C28 A:YBK2201 3.1 80.7 1.0 C36 A:YBK2201 3.4 84.6 1.0 CD1 A:LEU1372 3.4 84.8 1.0 CB A:LEU1372 3.4 87.7 1.0 N26 A:YBK2201 3.6 70.1 1.0 C21 A:YBK2201 3.7 73.0 1.0 CG A:ASN1369 3.9 88.0 1.0 C33 A:YBK2201 4.0 73.6 1.0 CG A:LEU1372 4.0 88.2 1.0 CA A:ASN1369 4.0 87.0 1.0 O A:ASN1369 4.1 90.1 1.0 C20 A:YBK2201 4.1 67.1 1.0 C29 A:YBK2201 4.2 83.1 1.0 C35 A:YBK2201 4.3 86.5 1.0 CB A:ASN1369 4.4 85.5 1.0 C A:ASN1369 4.5 88.2 1.0 N A:THR1373 4.6 90.2 1.0 OG1 A:THR1373 4.6 93.2 1.0 CD1 A:ILE1381 4.6 75.9 1.0 CA A:LEU1372 4.6 88.7 1.0 C A:LEU1372 4.7 89.9 1.0 ND2 A:ASN1369 4.9 94.0 1.0 C32 A:YBK2201 4.9 76.1 1.0

Fluorine binding site 2 out of 5 in the Structure of Respiratory Syncytial Virus Polymerase with Novel Non- Nucleoside Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Respiratory Syncytial Virus Polymerase with Novel Non- Nucleoside Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F2201 b:83.9 occ:1.00 F31 A:YBK2201 0.0 83.9 1.0 C30 A:YBK2201 1.3 79.5 1.0 C32 A:YBK2201 2.4 76.1 1.0 C29 A:YBK2201 2.4 83.1 1.0 CG2 A:ILE1368 3.0 89.4 1.0 CD1 A:ILE1241 3.3 81.8 1.0 CG1 A:ILE1241 3.5 81.6 1.0 CD1 A:ILE1368 3.6 91.8 1.0 C33 A:YBK2201 3.6 73.6 1.0 C28 A:YBK2201 3.6 80.7 1.0 CB A:THR1365 3.9 82.6 1.0 CG1 A:ILE1368 4.0 87.8 1.0 CG2 A:THR1365 4.1 83.7 1.0 CB A:ILE1368 4.1 89.3 1.0 C27 A:YBK2201 4.1 74.9 1.0 CB A:CYS1388 4.3 64.8 1.0 CD1 A:PHE1385 4.5 75.1 1.0 CE1 A:PHE1385 4.6 79.8 1.0 O A:THR1365 4.6 88.2 1.0 SG A:CYS1388 4.6 74.1 1.0 CA A:THR1365 4.7 85.3 1.0 CD1 A:LEU1372 4.9 84.8 1.0 OG1 A:THR1365 4.9 86.4 1.0 CB A:ILE1241 5.0 80.3 1.0

Fluorine binding site 3 out of 5 in the Structure of Respiratory Syncytial Virus Polymerase with Novel Non- Nucleoside Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Respiratory Syncytial Virus Polymerase with Novel Non- Nucleoside Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F2201 b:73.6 occ:1.00 F39 A:YBK2201 0.0 73.6 1.0 C38 A:YBK2201 1.4 70.8 1.0 F40 A:YBK2201 2.2 76.5 1.0 F41 A:YBK2201 2.2 72.5 1.0 C18 A:YBK2201 2.4 64.1 1.0 O19 A:YBK2201 2.8 71.5 1.0 O15 A:YBK2201 3.0 66.0 1.0 C17 A:YBK2201 3.0 65.7 1.0 N16 A:YBK2201 3.1 65.2 1.0 C14 A:YBK2201 3.1 62.1 1.0 ND1 A:HIS1338 3.3 83.0 1.0 CE1 A:HIS1338 3.6 87.2 1.0 CG A:HIS1338 3.7 78.0 1.0 C20 A:YBK2201 3.7 67.1 1.0 OD1 A:ASP1380 4.1 86.1 1.0 C05 A:YBK2201 4.1 60.2 1.0 NE2 A:HIS1338 4.1 85.0 1.0 CD2 A:HIS1338 4.2 80.9 1.0 CB A:HIS1338 4.2 72.2 1.0 N26 A:YBK2201 4.4 70.1 1.0 C04 A:YBK2201 4.5 61.0 1.0 C21 A:YBK2201 4.6 73.0 1.0 CG A:ASP1380 4.9 86.2 1.0

Fluorine binding site 4 out of 5 in the Structure of Respiratory Syncytial Virus Polymerase with Novel Non- Nucleoside Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Respiratory Syncytial Virus Polymerase with Novel Non- Nucleoside Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F2201 b:76.5 occ:1.00 F40 A:YBK2201 0.0 76.5 1.0 C38 A:YBK2201 1.3 70.8 1.0 F39 A:YBK2201 2.2 73.6 1.0 F41 A:YBK2201 2.2 72.5 1.0 C18 A:YBK2201 2.3 64.1 1.0 O19 A:YBK2201 2.8 71.5 1.0 C20 A:YBK2201 2.8 67.1 1.0 C21 A:YBK2201 3.2 73.0 1.0 OD1 A:ASP1380 3.2 86.1 1.0 C17 A:YBK2201 3.7 65.7 1.0 N26 A:YBK2201 3.8 70.1 1.0 CE1 A:HIS1338 4.2 87.2 1.0 CG A:ASP1380 4.3 86.2 1.0 C22 A:YBK2201 4.4 74.6 1.0 N16 A:YBK2201 4.4 65.2 1.0 ND1 A:HIS1338 4.5 83.0 1.0 NE2 A:HIS1338 4.6 85.0 1.0 C25 A:YBK2201 4.7 74.4 1.0 O15 A:YBK2201 4.8 66.0 1.0 C35 A:YBK2201 4.9 86.5 1.0 C14 A:YBK2201 4.9 62.1 1.0

Fluorine binding site 5 out of 5 in the Structure of Respiratory Syncytial Virus Polymerase with Novel Non- Nucleoside Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Respiratory Syncytial Virus Polymerase with Novel Non- Nucleoside Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F2201 b:72.5 occ:1.00 F41 A:YBK2201 0.0 72.5 1.0 C38 A:YBK2201 1.3 70.8 1.0 F40 A:YBK2201 2.2 76.5 1.0 F39 A:YBK2201 2.2 73.6 1.0 C18 A:YBK2201 2.4 64.1 1.0 C20 A:YBK2201 2.9 67.1 1.0 C17 A:YBK2201 2.9 65.7 1.0 N26 A:YBK2201 3.0 70.1 1.0 O15 A:YBK2201 3.4 66.0 1.0 CB A:PHE1385 3.5 70.8 1.0 O19 A:YBK2201 3.6 71.5 1.0 N16 A:YBK2201 3.8 65.2 1.0 C21 A:YBK2201 3.9 73.0 1.0 C14 A:YBK2201 4.0 62.1 1.0 C25 A:YBK2201 4.1 74.4 1.0 CG A:PHE1385 4.1 74.8 1.0 CD1 A:PHE1385 4.4 75.1 1.0 C27 A:YBK2201 4.8 74.9 1.0 CA A:PHE1385 4.8 64.0 1.0 N A:PHE1385 4.8 63.2 1.0 C22 A:YBK2201 4.9 74.6 1.0 CD2 A:PHE1385 4.9 80.0 1.0 C23 A:YBK2201 4.9 75.9 1.0

X.Yu, P.Abeywickrema, B.Bonneux, I.Behera, B.Anson, E.Jacoby, A.Fung, S.Adhikary, A.Bhaumik, R.J.Carbajo, S.De Bruyn, R.Miller, A.Patrick, Q.Pham, M.Piassek, N.Verheyen, A.Shareef, P.Sutto-Ortiz, N.Ysebaert, H.Van Vlijmen, T.H.M.Jonckers, F.Herschke, J.S.Mclellan, E.Decroly, R.Fearns, S.Grosse, D.Roymans, S.Sharma, P.Rigaux, Z.Jin. Structural and Mechanistic Insights Into the Inhibition of Respiratory Syncytial Virus Polymerase By A Non-Nucleoside Inhibitor. Commun Biol V. 6 1074 2023.
ISSN: ESSN 2399-3642
PubMed: 37865687
DOI: 10.1038/S42003-023-05451-4