Fluorine in PDB 6v2f: Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207

The structure of Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207, PDB code: 6v2f was solved by T.C.Appleby, J.O.Link, S.R.Yant, A.G.Villasenor, J.R.Somoza, E.Y.Hu, S.D.Schroeder, T.Cihlar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.92 / 2.00
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	158.301, 158.301, 55.648, 90.00, 90.00, 120.00
R / Rfree (%)	20.9 / 25.1

The structure of Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 (pdb code 6v2f). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 60 binding sites of Fluorine where determined in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207, PDB code: 6v2f:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 60 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


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 the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range: probe atom residue distance (Å) B Occ A:F300 b:22.7 occ:1.00 F26 A:QNG300 0.0 22.7 1.0 C24 A:QNG300 1.3 20.0 1.0 C25 A:QNG300 2.4 18.2 1.0 C23 A:QNG300 2.4 22.0 1.0 F42 A:QNG300 2.8 22.8 1.0 O A:LEU56 3.1 18.3 1.0 CG A:MET66 3.2 21.6 1.0 SD A:MET66 3.2 22.3 1.0 CB A:MET66 3.3 19.2 1.0 O A:HOH457 3.3 20.2 1.0 F41 A:QNG300 3.6 25.6 1.0 C22 A:QNG300 3.6 22.5 1.0 C20 A:QNG300 3.6 21.8 1.0 C A:LEU56 3.6 18.8 1.0 C38 A:QNG300 3.8 22.1 1.0 CB A:LEU56 3.9 18.8 1.0 C21 A:QNG300 4.1 19.9 1.0 CA A:LEU56 4.3 17.5 1.0 CA A:MET66 4.3 20.0 1.0 N A:ASN57 4.3 19.6 1.0 OD1 A:ASN57 4.5 20.4 1.0 CA A:ASN57 4.5 20.5 1.0 C37 A:QNG300 4.6 21.9 1.0 F27 A:QNG300 4.7 20.1 1.0 O A:MET66 4.7 20.5 1.0 C A:MET66 4.8 19.7 1.0 NE2 A:GLN63 4.9 19.0 1.0 C19 A:QNG300 4.9 20.6 1.0 C32 A:QNG300 5.0 20.1 1.0

Fluorine binding site 2 out of 60 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range: probe atom residue distance (Å) B Occ A:F300 b:20.1 occ:1.00 F27 A:QNG300 0.0 20.1 1.0 C22 A:QNG300 1.3 22.5 1.0 C21 A:QNG300 2.4 19.9 1.0 C23 A:QNG300 2.4 22.0 1.0 CD1 A:ILE73 3.2 19.9 1.0 N A:LYS70 3.2 21.0 1.0 CG A:LEU69 3.3 24.1 1.0 CA A:LYS70 3.4 23.4 1.0 C A:LEU69 3.6 21.7 1.0 O A:MET66 3.6 20.5 1.0 C24 A:QNG300 3.6 20.0 1.0 CB A:LEU69 3.6 22.3 1.0 C20 A:QNG300 3.6 21.8 1.0 CB A:LYS70 3.8 24.0 1.0 CD2 A:LEU69 3.9 21.4 1.0 O A:LEU69 4.0 22.1 1.0 C25 A:QNG300 4.1 18.2 1.0 CD1 A:LEU56 4.1 19.1 1.0 CG A:LYS70 4.1 34.2 1.0 CA A:LEU69 4.2 19.7 1.0 F41 A:QNG300 4.3 25.6 1.0 CG1 A:ILE73 4.4 20.1 1.0 CD A:LYS70 4.5 30.0 1.0 CD1 A:LEU69 4.6 24.5 1.0 F26 A:QNG300 4.7 22.7 1.0 C A:MET66 4.7 19.7 1.0 C A:LYS70 4.8 26.7 1.0 C19 A:QNG300 4.9 20.6 1.0

Fluorine binding site 3 out of 60 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range: probe atom residue distance (Å) B Occ A:F300 b:25.6 occ:1.00 F41 A:QNG300 0.0 25.6 1.0 C38 A:QNG300 1.4 22.1 1.0 F42 A:QNG300 2.2 22.8 1.0 C32 A:QNG300 2.4 20.1 1.0 C37 A:QNG300 2.4 21.9 1.0 C24 A:QNG300 3.1 20.0 1.0 CD A:LYS70 3.1 30.0 1.0 O29 A:QNG300 3.2 22.8 1.0 C23 A:QNG300 3.2 22.0 1.0 N33 A:QNG300 3.2 25.4 1.0 C28 A:QNG300 3.2 23.1 1.0 C25 A:QNG300 3.3 18.2 1.0 C31 A:QNG300 3.3 22.8 1.0 C36 A:QNG300 3.4 20.2 1.0 C22 A:QNG300 3.5 22.5 1.0 C30 A:QNG300 3.6 20.8 1.0 C20 A:QNG300 3.6 21.8 1.0 F26 A:QNG300 3.6 22.7 1.0 C21 A:QNG300 3.7 19.9 1.0 C39 A:QNG300 3.8 23.5 1.0 N43 A:QNG300 3.8 21.1 1.0 NZ A:LYS70 3.8 29.9 1.0 O A:MET66 4.0 20.5 1.0 CE A:LYS70 4.0 27.9 1.0 CG A:LYS70 4.2 34.2 1.0 F27 A:QNG300 4.3 20.1 1.0 C01 A:QNG300 4.4 19.1 1.0 N34 A:QNG300 4.4 22.0 1.0 C35 A:QNG300 4.4 22.9 1.0 CB A:LYS70 4.4 24.0 1.0 C A:MET66 4.5 19.7 1.0 CB A:MET66 4.5 19.2 1.0 C19 A:QNG300 4.5 20.6 1.0 N A:GLN67 5.0 18.9 1.0

Fluorine binding site 4 out of 60 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range: probe atom residue distance (Å) B Occ A:F300 b:22.8 occ:1.00 F42 A:QNG300 0.0 22.8 1.0 C38 A:QNG300 1.4 22.1 1.0 F41 A:QNG300 2.2 25.6 1.0 C32 A:QNG300 2.4 20.1 1.0 C37 A:QNG300 2.4 21.9 1.0 F26 A:QNG300 2.8 22.7 1.0 C39 A:QNG300 3.1 23.5 1.0 C24 A:QNG300 3.2 20.0 1.0 N33 A:QNG300 3.2 25.4 1.0 C31 A:QNG300 3.4 22.8 1.0 OE1 A:GLN63 3.4 22.7 1.0 C36 A:QNG300 3.5 20.2 1.0 C25 A:QNG300 3.6 18.2 1.0 C30 A:QNG300 3.6 20.8 1.0 CB A:MET66 3.6 19.2 1.0 C23 A:QNG300 3.9 22.0 1.0 C28 A:QNG300 4.0 23.1 1.0 O A:HOH457 4.2 20.2 1.0 CD A:GLN63 4.3 23.5 1.0 CG A:MET66 4.3 21.6 1.0 N34 A:QNG300 4.4 22.0 1.0 C35 A:QNG300 4.4 22.9 1.0 NE2 A:GLN63 4.5 19.0 1.0 O29 A:QNG300 4.5 22.8 1.0 N43 A:QNG300 4.5 21.1 1.0 OD1 A:ASN57 4.5 20.4 1.0 C20 A:QNG300 4.6 21.8 1.0 C A:MET66 4.7 19.7 1.0 O A:MET66 4.8 20.5 1.0 C22 A:QNG300 4.8 22.5 1.0 CA A:MET66 4.8 20.0 1.0

Fluorine binding site 5 out of 60 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range: probe atom residue distance (Å) B Occ A:F300 b:28.7 occ:1.00 F52 A:QNG300 0.0 28.7 1.0 C40 A:QNG300 1.4 27.3 1.0 F64 A:QNG300 2.2 29.1 1.0 F53 A:QNG300 2.2 30.0 1.0 C35 A:QNG300 2.3 22.9 1.0 N34 A:QNG300 2.9 22.0 1.0 C31 A:QNG300 3.5 22.8 1.0 N33 A:QNG300 4.1 25.4 1.0 C32 A:QNG300 4.4 20.1 1.0 C36 A:QNG300 4.5 20.2 1.0

Fluorine binding site 6 out of 60 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range: probe atom residue distance (Å) B Occ A:F300 b:30.0 occ:1.00 F53 A:QNG300 0.0 30.0 1.0 C40 A:QNG300 1.4 27.3 1.0 F64 A:QNG300 2.2 29.1 1.0 F52 A:QNG300 2.2 28.7 1.0 C35 A:QNG300 2.4 22.9 1.0 C31 A:QNG300 2.9 22.8 1.0 C36 A:QNG300 3.2 20.2 1.0 O A:HOH425 3.3 25.8 1.0 N34 A:QNG300 3.6 22.0 1.0 C32 A:QNG300 4.2 20.1 1.0 C39 A:QNG300 4.3 23.5 1.0 N33 A:QNG300 4.5 25.4 1.0 OE1 A:GLN67 4.5 26.7 1.0 NZ A:LYS70 4.7 29.9 1.0 C37 A:QNG300 4.7 21.9 1.0

Fluorine binding site 7 out of 60 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range: probe atom residue distance (Å) B Occ A:F300 b:33.3 occ:1.00 F61 A:QNG300 0.0 33.3 1.0 C60 A:QNG300 1.3 28.3 1.0 F63 A:QNG300 2.2 33.0 1.0 F62 A:QNG300 2.2 29.7 1.0 C18 A:QNG300 2.4 24.5 1.0 N14 A:QNG300 2.9 23.6 1.0 N15 A:QNG300 3.0 24.3 1.0 O A:HOH534 3.4 35.1 1.0 O A:HOH476 4.0 37.0 1.0 C08 A:QNG300 4.1 22.9 1.0 C16 A:QNG300 4.1 25.1 1.0 C49 A:QNG300 4.2 34.7 1.0 C09 A:QNG300 4.7 24.5 1.0 CG2 A:THR107 4.7 24.5 1.0 CB A:THR107 4.8 24.0 1.0 O50 A:QNG300 5.0 32.6 1.0 C07 A:QNG300 5.0 19.6 1.0

Fluorine binding site 8 out of 60 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range: probe atom residue distance (Å) B Occ A:F300 b:29.7 occ:1.00 F62 A:QNG300 0.0 29.7 1.0 C60 A:QNG300 1.3 28.3 1.0 F63 A:QNG300 2.2 33.0 1.0 F61 A:QNG300 2.2 33.3 1.0 C18 A:QNG300 2.4 24.5 1.0 N14 A:QNG300 2.9 23.6 1.0 C04 A:QNG300 3.1 22.8 1.0 C08 A:QNG300 3.4 22.9 1.0 CG2 A:THR107 3.5 24.5 1.0 C13 A:QNG300 3.5 21.0 1.0 CB A:THR107 3.6 24.0 1.0 C07 A:QNG300 3.7 19.6 1.0 N15 A:QNG300 3.7 24.3 1.0 C03 A:QNG300 3.9 21.8 1.0 CA A:THR107 4.0 23.8 1.0 C09 A:QNG300 4.4 24.5 1.0 C05 A:QNG300 4.5 20.5 1.0 C16 A:QNG300 4.5 25.1 1.0 O A:THR107 4.6 26.8 1.0 C02 A:QNG300 4.7 28.2 1.0 C A:THR107 4.8 26.7 1.0 C12 A:QNG300 4.9 22.0 1.0 OG1 A:THR107 5.0 29.9 1.0

Fluorine binding site 9 out of 60 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range: probe atom residue distance (Å) B Occ A:F300 b:33.0 occ:1.00 F63 A:QNG300 0.0 33.0 1.0 C60 A:QNG300 1.4 28.3 1.0 F62 A:QNG300 2.2 29.7 1.0 F61 A:QNG300 2.2 33.3 1.0 C18 A:QNG300 2.3 24.5 1.0 N14 A:QNG300 3.6 23.6 1.0 O A:HOH534 4.3 35.1 1.0 N15 A:QNG300 4.3 24.3 1.0 O A:HOH476 4.4 37.0 1.0 C04 A:QNG300 4.4 22.8 1.0 C13 A:QNG300 4.6 21.0 1.0 C08 A:QNG300 4.6 22.9 1.0 C03 A:QNG300 4.7 21.8 1.0

Fluorine binding site 10 out of 60 in the Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of the Hiv Capsid Hexamer Bound to the Small Molecule Long-Acting Inhibitor, Gs-6207 within 5.0Å range: probe atom residue distance (Å) B Occ A:F300 b:29.1 occ:1.00 F64 A:QNG300 0.0 29.1 1.0 C40 A:QNG300 1.4 27.3 1.0 F52 A:QNG300 2.2 28.7 1.0 F53 A:QNG300 2.2 30.0 1.0 C35 A:QNG300 2.4 22.9 1.0 N34 A:QNG300 2.9 22.0 1.0 O A:HOH425 3.4 25.8 1.0 C31 A:QNG300 3.5 22.8 1.0 O A:HOH476 3.7 37.0 1.0 NZ A:LYS70 3.9 29.9 1.0 N33 A:QNG300 4.1 25.4 1.0 C32 A:QNG300 4.4 20.1 1.0 C36 A:QNG300 4.5 20.2 1.0

J.O.Link, M.S.Rhee, W.C.Tse, J.Zheng, J.R.Somoza, W.Rowe, R.Begley, A.Chiu, A.Mulato, D.Hansen, E.Singer, L.K.Tsai, R.A.Bam, C.H.Chou, E.Canales, G.Brizgys, J.R.Zhang, J.Li, M.Graupe, P.Morganelli, Q.Liu, Q.Wu, R.L.Halcomb, R.D.Saito, S.D.Schroeder, S.E.Lazerwith, S.Bondy, D.Jin, M.Hung, N.Novikov, X.Liu, A.G.Villasenor, C.E.Cannizzaro, E.Y.Hu, R.L.Anderson, T.C.Appleby, B.Lu, J.Mwangi, A.Liclican, A.Niedziela-Majka, G.A.Papalia, M.H.Wong, S.A.Leavitt, Y.Xu, D.Koditek, G.J.Stepan, H.Yu, N.Pagratis, S.Clancy, S.Ahmadyar, T.Z.Cai, S.Sellers, S.A.Wolckenhauer, J.Ling, C.Callebaut, N.Margot, R.R.Ram, Y.P.Liu, R.Hyland, G.I.Sinclair, P.J.Ruane, G.E.Crofoot, C.K.Mcdonald, D.M.Brainard, L.Lad, S.Swaminathan, W.I.Sundquist, R.Sakowicz, A.E.Chester, W.E.Lee, E.S.Daar, S.R.Yant, T.Cihlar. Clinical Targeting of Hiv Capsid Protein with A Long-Acting Small Molecule. Nature V. 584 614 2020.
ISSN: ESSN 1476-4687
PubMed: 32612233
DOI: 10.1038/S41586-020-2443-1