Fluorine in PDB 8v9c: Hiv-1 Integrase F185H Complexed with Allosteric Inhibitor GSK1264

The structure of Hiv-1 Integrase F185H Complexed with Allosteric Inhibitor GSK1264, PDB code: 8v9c was solved by S.Montermoso, K.Gupta, G.Eilers, F.D.Bushman, G.D.Van Duyne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 4.40
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	107.06, 107.06, 243.49, 90, 90, 120
R / Rfree (%)	31.8 / 34.1

The binding sites of Fluorine atom in the Hiv-1 Integrase F185H Complexed with Allosteric Inhibitor GSK1264 (pdb code 8v9c). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Hiv-1 Integrase F185H Complexed with Allosteric Inhibitor GSK1264, PDB code: 8v9c:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Hiv-1 Integrase F185H Complexed with Allosteric Inhibitor GSK1264


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Hiv-1 Integrase F185H Complexed with Allosteric Inhibitor GSK1264 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:192.1 occ:1.00 F19 A:2SQ301 0.0 192.1 1.0 C18 A:2SQ301 1.4 192.1 1.0 C20 A:2SQ301 2.4 192.1 1.0 C17 A:2SQ301 2.4 192.1 1.0 O16 A:2SQ301 2.7 192.1 1.0 CB B:ALA129 2.9 117.0 1.0 CB B:ALA98 3.2 216.5 1.0 C22 A:2SQ301 3.7 192.1 1.0 C06 A:2SQ301 3.7 192.1 1.0 C29 A:2SQ301 3.7 192.1 1.0 CA B:ALA129 3.8 154.2 1.0 O B:THR125 3.9 193.9 1.0 C13 A:2SQ301 4.1 192.1 1.0 C05 A:2SQ301 4.1 192.1 1.0 OG1 B:THR125 4.2 194.1 1.0 CA B:ALA98 4.3 169.3 1.0 N B:ALA129 4.4 154.2 1.0 H B:ALA129 4.4 117.0 1.0 HG1 B:THR125 4.5 194.1 1.0 C B:ALA98 4.6 169.3 1.0 O B:ALA98 4.7 169.3 1.0 C23 A:2SQ301 4.8 192.1 1.0 C B:THR125 4.8 193.9 1.0 C33 A:2SQ301 4.8 192.1 1.0 C07 A:2SQ301 4.8 192.1 1.0 C28 A:2SQ301 4.9 192.1 1.0 C10 A:2SQ301 4.9 192.1 1.0

Fluorine binding site 2 out of 2 in the Hiv-1 Integrase F185H Complexed with Allosteric Inhibitor GSK1264


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Hiv-1 Integrase F185H Complexed with Allosteric Inhibitor GSK1264 within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:199.5 occ:1.00 F19 B:2SQ301 0.0 199.5 1.0 C18 B:2SQ301 1.4 199.5 1.0 C17 B:2SQ301 2.4 199.5 1.0 C20 B:2SQ301 2.4 199.5 1.0 O16 B:2SQ301 2.7 199.5 1.0 O A:THR125 2.8 180.0 1.0 H A:ALA129 3.1 144.5 1.0 CB A:ALA98 3.3 167.6 1.0 N A:ALA129 3.3 162.1 1.0 CB A:ALA129 3.4 144.5 1.0 C A:THR125 3.5 180.0 1.0 CA A:ALA129 3.6 162.1 1.0 C06 B:2SQ301 3.7 199.5 1.0 C22 B:2SQ301 3.7 199.5 1.0 CB A:ALA128 3.9 169.1 1.0 C A:ALA128 4.0 148.5 1.0 C13 B:2SQ301 4.1 199.5 1.0 CA A:THR125 4.1 180.0 1.0 C05 B:2SQ301 4.1 199.5 1.0 CB A:THR125 4.2 206.9 1.0 N A:VAL126 4.4 239.4 1.0 CA A:ALA128 4.5 148.5 1.0 HG1 A:THR125 4.6 206.9 1.0 CA A:ALA98 4.6 192.9 1.0 H A:ALA128 4.6 169.1 1.0 CA A:VAL126 4.7 239.4 1.0 O A:ALA128 4.7 148.5 1.0 C23 B:2SQ301 4.8 199.5 1.0 N A:ALA128 4.8 148.5 1.0 C07 B:2SQ301 4.8 199.5 1.0 C10 B:2SQ301 4.9 199.5 1.0 C29 B:2SQ301 4.9 199.5 1.0 O A:VAL126 5.0 239.4 1.0 OG1 A:THR125 5.0 206.9 1.0 C59 B:2SQ301 5.0 199.5 1.0

S.Montermoso, K.Gupta, G.Eilers, A.Allen, N.Stewart, A.Gore, N.An, Y.Hwang, R.Sharp, F.D.Bushman, G.D.Van Duyne. Structural Consequences of Resistance Mutations on the Formation of Allini-Induced Branched Polymers of Hiv-1 Integrase To Be Published.