Fluorine in PDB 7ouh: Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir

The structure of Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir also contains other interesting chemical elements:

Zinc	(Zn)	4 atoms
Magnesium	(Mg)	4 atoms

The binding sites of Fluorine atom in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir (pdb code 7ouh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir, PDB code: 7ouh:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir within 5.0Å range: probe atom residue distance (Å) B Occ E:F304 b:19.4 occ:1.00 FAE E:KLQ304 0.0 19.4 1.0 CAT E:KLQ304 1.4 19.4 1.0 CAI E:KLQ304 2.4 19.4 1.0 CAH E:KLQ304 2.4 19.4 1.0 N1 I:DG4 2.9 28.6 1.0 C6 I:DG4 3.1 28.6 1.0 C2 I:DG4 3.1 28.6 1.0 C5 I:DG4 3.3 28.6 1.0 CG2 E:THR152 3.5 34.7 1.0 N3 I:DG4 3.5 28.6 1.0 C4 I:DG4 3.5 28.6 1.0 CAV E:KLQ304 3.6 19.4 1.0 O6 I:DG4 3.6 28.6 1.0 CAU E:KLQ304 3.7 19.4 1.0 CA E:THR152 3.8 34.7 1.0 N2 I:DG4 3.8 28.6 1.0 CB E:THR152 4.1 34.7 1.0 CAY E:KLQ304 4.2 19.4 1.0 N7 I:DG4 4.2 28.6 1.0 N E:THR152 4.2 34.7 1.0 N9 I:DG4 4.4 28.6 1.0 O E:PRO151 4.5 23.1 1.0 C E:PRO151 4.5 23.1 1.0 N3 J:DC19 4.6 28.6 1.0 FAG E:KLQ304 4.7 19.4 1.0 C8 I:DG4 4.7 28.6 1.0 FAF E:KLQ304 4.8 19.4 1.0 N4 J:DC19 4.8 28.6 1.0 C4 J:DC19 5.0 28.6 1.0 C E:THR152 5.0 34.7 1.0

Fluorine binding site 2 out of 6 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir within 5.0Å range: probe atom residue distance (Å) B Occ E:F304 b:19.4 occ:1.00 FAF E:KLQ304 0.0 19.4 1.0 CAU E:KLQ304 1.4 19.4 1.0 CAH E:KLQ304 2.4 19.4 1.0 CAY E:KLQ304 2.4 19.4 1.0 CAK E:KLQ304 2.9 19.4 1.0 OAA E:KLQ304 3.5 19.4 1.0 CAV E:KLQ304 3.6 19.4 1.0 CAT E:KLQ304 3.7 19.4 1.0 NAP E:KLQ304 4.0 19.4 1.0 CAI E:KLQ304 4.2 19.4 1.0 CAR E:KLQ304 4.2 19.4 1.0 CG E:PRO151 4.2 23.1 1.0 N4 J:DC19 4.3 28.6 1.0 C5 J:DC19 4.5 28.6 1.0 C4 J:DC19 4.5 28.6 1.0 FAG E:KLQ304 4.7 19.4 1.0 FAE E:KLQ304 4.8 19.4 1.0 CB E:PRO151 4.9 23.1 1.0

Fluorine binding site 3 out of 6 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir within 5.0Å range: probe atom residue distance (Å) B Occ E:F304 b:19.4 occ:1.00 FAG E:KLQ304 0.0 19.4 1.0 CAV E:KLQ304 1.4 19.4 1.0 CAI E:KLQ304 2.3 19.4 1.0 CAY E:KLQ304 2.3 19.4 1.0 CAK E:KLQ304 2.8 19.4 1.0 NAP E:KLQ304 2.9 19.4 1.0 CB E:GLU158 3.2 18.9 1.0 C2' J:DC19 3.2 28.6 1.0 CG E:GLU158 3.3 18.9 1.0 N1 J:DC19 3.4 28.6 1.0 CAT E:KLQ304 3.6 19.4 1.0 CAU E:KLQ304 3.6 19.4 1.0 C2 J:DC19 3.6 28.6 1.0 OE1 E:GLU158 3.7 18.9 1.0 OAC E:KLQ304 3.7 19.4 1.0 CD E:GLU158 3.7 18.9 1.0 C1' J:DC19 3.7 28.6 1.0 C6 J:DC19 3.8 28.6 1.0 O2 J:DC19 4.0 28.6 1.0 CAH E:KLQ304 4.0 19.4 1.0 CAR E:KLQ304 4.1 19.4 1.0 N3 J:DC19 4.1 28.6 1.0 C5 J:DC19 4.3 28.6 1.0 C4 J:DC19 4.4 28.6 1.0 C3' J:DC19 4.5 28.6 1.0 CA E:GLU158 4.6 18.9 1.0 OE2 E:GLU158 4.7 18.9 1.0 CB E:PRO151 4.7 23.1 1.0 FAE E:KLQ304 4.7 19.4 1.0 CBA E:KLQ304 4.7 19.4 1.0 N2 I:DG4 4.7 28.6 1.0 FAF E:KLQ304 4.7 19.4 1.0 OAA E:KLQ304 4.7 19.4 1.0 MG E:MG303 4.8 20.7 1.0 CAX E:KLQ304 4.9 19.4 1.0 O E:PRO151 4.9 23.1 1.0

Fluorine binding site 4 out of 6 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir within 5.0Å range: probe atom residue distance (Å) B Occ B:F304 b:20.5 occ:1.00 FAE B:KLQ304 0.0 20.5 1.0 CAT B:KLQ304 1.4 20.5 1.0 CAI B:KLQ304 2.4 20.5 1.0 CAH B:KLQ304 2.4 20.5 1.0 N1 K:DG4 2.9 28.6 1.0 C6 K:DG4 3.1 28.6 1.0 C2 K:DG4 3.1 28.6 1.0 C5 K:DG4 3.3 28.6 1.0 N3 K:DG4 3.5 28.6 1.0 C4 K:DG4 3.5 28.6 1.0 CG2 B:THR152 3.5 28.6 1.0 CAV B:KLQ304 3.6 20.5 1.0 O6 K:DG4 3.7 28.6 1.0 CAU B:KLQ304 3.7 20.5 1.0 CA B:THR152 3.8 28.6 1.0 N2 K:DG4 3.8 28.6 1.0 CB B:THR152 4.1 28.6 1.0 CAY B:KLQ304 4.2 20.5 1.0 N B:THR152 4.2 28.6 1.0 N7 K:DG4 4.2 28.6 1.0 N9 K:DG4 4.4 28.6 1.0 O B:PRO151 4.5 27.0 1.0 C B:PRO151 4.5 27.0 1.0 N3 L:DC19 4.6 28.6 1.0 FAG B:KLQ304 4.7 20.5 1.0 C8 K:DG4 4.7 28.6 1.0 FAF B:KLQ304 4.8 20.5 1.0 N4 L:DC19 4.8 28.6 1.0 C4 L:DC19 4.9 28.6 1.0 C B:THR152 5.0 28.6 1.0

Fluorine binding site 5 out of 6 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir within 5.0Å range: probe atom residue distance (Å) B Occ B:F304 b:20.5 occ:1.00 FAF B:KLQ304 0.0 20.5 1.0 CAU B:KLQ304 1.4 20.5 1.0 CAH B:KLQ304 2.4 20.5 1.0 CAY B:KLQ304 2.4 20.5 1.0 CAK B:KLQ304 2.9 20.5 1.0 OAA B:KLQ304 3.5 20.5 1.0 CAV B:KLQ304 3.6 20.5 1.0 CAT B:KLQ304 3.7 20.5 1.0 NAP B:KLQ304 4.0 20.5 1.0 CAI B:KLQ304 4.2 20.5 1.0 CAR B:KLQ304 4.2 20.5 1.0 CG B:PRO151 4.2 27.0 1.0 N4 L:DC19 4.3 28.6 1.0 C5 L:DC19 4.5 28.6 1.0 C4 L:DC19 4.5 28.6 1.0 FAG B:KLQ304 4.7 20.5 1.0 FAE B:KLQ304 4.8 20.5 1.0 CB B:PRO151 4.9 27.0 1.0

Fluorine binding site 6 out of 6 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir within 5.0Å range: probe atom residue distance (Å) B Occ B:F304 b:20.5 occ:1.00 FAG B:KLQ304 0.0 20.5 1.0 CAV B:KLQ304 1.4 20.5 1.0 CAI B:KLQ304 2.3 20.5 1.0 CAY B:KLQ304 2.3 20.5 1.0 CAK B:KLQ304 2.8 20.5 1.0 NAP B:KLQ304 2.9 20.5 1.0 CB B:GLU158 3.2 21.2 1.0 C2' L:DC19 3.2 28.6 1.0 CG B:GLU158 3.3 21.2 1.0 N1 L:DC19 3.4 28.6 1.0 CAT B:KLQ304 3.6 20.5 1.0 CAU B:KLQ304 3.6 20.5 1.0 C2 L:DC19 3.6 28.6 1.0 OE1 B:GLU158 3.7 21.2 1.0 OAC B:KLQ304 3.7 20.5 1.0 CD B:GLU158 3.7 21.2 1.0 C1' L:DC19 3.7 28.6 1.0 C6 L:DC19 3.8 28.6 1.0 O2 L:DC19 4.0 28.6 1.0 CAH B:KLQ304 4.0 20.5 1.0 CAR B:KLQ304 4.1 20.5 1.0 N3 L:DC19 4.1 28.6 1.0 C5 L:DC19 4.3 28.6 1.0 C4 L:DC19 4.4 28.6 1.0 C3' L:DC19 4.5 28.6 1.0 CA B:GLU158 4.6 21.2 1.0 OE2 B:GLU158 4.6 21.2 1.0 CB B:PRO151 4.7 27.0 1.0 FAE B:KLQ304 4.7 20.5 1.0 CBA B:KLQ304 4.7 20.5 1.0 FAF B:KLQ304 4.7 20.5 1.0 N2 K:DG4 4.7 28.6 1.0 OAA B:KLQ304 4.8 20.5 1.0 MG B:MG303 4.8 19.6 1.0 CAX B:KLQ304 4.9 20.5 1.0 O B:PRO151 4.9 27.0 1.0

M.S.Barski, T.Vanzo, X.Zhao, S.J.Smith, A.Ballandras-Colas, N.B.Cronin, V.E.Pye, S.H.Hughes, T.R.Burke, P.Cherepanov, G.N.Maertens. Structural Basis For the Inhibition of Htlv-1 Integration Inferred From Cryo-Em Deltaretroviral Intasome Structures Nat Commun 2021.
ISSN: ESSN 2041-1723