Fluorine in PDB 7ouf: Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor XZ450

The structure of Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor XZ450 also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor XZ450 (pdb code 7ouf). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor XZ450, PDB code: 7ouf:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor XZ450


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 XZ450 within 5.0Å range: probe atom residue distance (Å) B Occ E:F304 b:4.6 occ:1.00 F23 E:1L0304 0.0 4.6 1.0 C20 E:1L0304 1.4 4.6 1.0 C19 E:1L0304 2.4 4.6 1.0 C21 E:1L0304 2.4 4.6 1.0 C6 I:DG4 3.1 10.8 1.0 CG2 E:THR152 3.2 2.8 1.0 N1 I:DG4 3.3 10.8 1.0 O6 I:DG4 3.4 10.8 1.0 C5 I:DG4 3.5 10.8 1.0 C18 E:1L0304 3.6 4.6 1.0 C22 E:1L0304 3.7 4.6 1.0 C2 I:DG4 3.8 10.8 1.0 C4 I:DG4 3.9 10.8 1.0 N4 J:DC19 4.1 10.8 1.0 N3 I:DG4 4.1 10.8 1.0 C17 E:1L0304 4.1 4.6 1.0 N7 I:DG4 4.2 10.8 1.0 CB E:THR152 4.3 2.8 1.0 CA E:THR152 4.3 2.8 1.0 N3 J:DC19 4.3 10.8 1.0 C4 J:DC19 4.4 10.8 1.0 N2 I:DG4 4.5 10.8 1.0 N E:THR152 4.5 2.8 1.0 N9 I:DG4 4.7 10.8 1.0 F32 E:1L0304 4.8 4.6 1.0 C8 I:DG4 4.8 10.8 1.0

Fluorine binding site 2 out of 4 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor XZ450


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 XZ450 within 5.0Å range: probe atom residue distance (Å) B Occ E:F304 b:4.6 occ:1.00 F32 E:1L0304 0.0 4.6 1.0 C18 E:1L0304 1.4 4.6 1.0 C19 E:1L0304 2.4 4.6 1.0 C17 E:1L0304 2.4 4.6 1.0 C16 E:1L0304 2.8 4.6 1.0 N14 E:1L0304 2.8 4.6 1.0 C2' J:DC19 3.3 10.8 1.0 CB E:GLU158 3.3 10.8 1.0 CG E:GLU158 3.3 10.8 1.0 OE1 E:GLU158 3.6 10.8 1.0 O12 E:1L0304 3.6 4.6 1.0 CD E:GLU158 3.6 10.8 1.0 C20 E:1L0304 3.6 4.6 1.0 C22 E:1L0304 3.6 4.6 1.0 N1 J:DC19 3.6 10.8 1.0 C2 J:DC19 3.8 10.8 1.0 C1' J:DC19 3.9 10.8 1.0 C6 J:DC19 4.0 10.8 1.0 C21 E:1L0304 4.1 4.6 1.0 C13 E:1L0304 4.1 4.6 1.0 O2 J:DC19 4.1 10.8 1.0 N3 J:DC19 4.3 10.8 1.0 CB E:PRO151 4.3 10.8 1.0 OE2 E:GLU158 4.5 10.8 1.0 C5 J:DC19 4.5 10.8 1.0 C4 J:DC19 4.6 10.8 1.0 MG E:MG303 4.6 9.1 1.0 C3' J:DC19 4.6 10.8 1.0 CA E:GLU158 4.6 10.8 1.0 N2 I:DG4 4.7 10.8 1.0 C09 E:1L0304 4.7 4.6 1.0 F23 E:1L0304 4.8 4.6 1.0 O15 E:1L0304 4.9 4.6 1.0 C08 E:1L0304 4.9 4.6 1.0

Fluorine binding site 3 out of 4 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor XZ450


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 XZ450 within 5.0Å range: probe atom residue distance (Å) B Occ B:F304 b:10.8 occ:1.00 F23 B:1L0304 0.0 10.8 1.0 C20 B:1L0304 1.4 10.8 1.0 C19 B:1L0304 2.4 10.8 1.0 C21 B:1L0304 2.4 10.8 1.0 C6 K:DG4 3.2 10.8 1.0 CG2 B:THR152 3.2 1.7 1.0 N1 K:DG4 3.3 10.8 1.0 C5 K:DG4 3.5 10.8 1.0 O6 K:DG4 3.5 10.8 1.0 C18 B:1L0304 3.6 10.8 1.0 C22 B:1L0304 3.7 10.8 1.0 C2 K:DG4 3.7 10.8 1.0 C4 K:DG4 3.9 10.8 1.0 N3 K:DG4 4.0 10.8 1.0 N4 H:DC19 4.1 10.8 1.0 C17 B:1L0304 4.1 10.8 1.0 CB B:THR152 4.2 1.7 1.0 CA B:THR152 4.2 1.7 1.0 N7 K:DG4 4.2 10.8 1.0 N3 H:DC19 4.3 10.8 1.0 N2 K:DG4 4.4 10.8 1.0 C4 H:DC19 4.4 10.8 1.0 N B:THR152 4.4 1.7 1.0 N9 K:DG4 4.7 10.8 1.0 F32 B:1L0304 4.8 10.8 1.0 C8 K:DG4 4.8 10.8 1.0

Fluorine binding site 4 out of 4 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor XZ450


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 XZ450 within 5.0Å range: probe atom residue distance (Å) B Occ B:F304 b:10.8 occ:1.00 F32 B:1L0304 0.0 10.8 1.0 C18 B:1L0304 1.4 10.8 1.0 C17 B:1L0304 2.4 10.8 1.0 C19 B:1L0304 2.4 10.8 1.0 C16 B:1L0304 2.8 10.8 1.0 N14 B:1L0304 2.8 10.8 1.0 CB B:GLU158 3.2 15.0 1.0 CG B:GLU158 3.2 15.0 1.0 C2' H:DC19 3.3 10.8 1.0 OE1 B:GLU158 3.5 15.0 1.0 CD B:GLU158 3.5 15.0 1.0 O12 B:1L0304 3.5 10.8 1.0 N1 H:DC19 3.6 10.8 1.0 C20 B:1L0304 3.6 10.8 1.0 C22 B:1L0304 3.6 10.8 1.0 C2 H:DC19 3.8 10.8 1.0 C1' H:DC19 3.9 10.8 1.0 C6 H:DC19 4.0 10.8 1.0 C21 B:1L0304 4.1 10.8 1.0 C13 B:1L0304 4.1 10.8 1.0 O2 H:DC19 4.1 10.8 1.0 N3 H:DC19 4.3 10.8 1.0 CB B:PRO151 4.3 0.3 1.0 OE2 B:GLU158 4.3 15.0 1.0 C5 H:DC19 4.4 10.8 1.0 MG B:MG303 4.5 36.0 1.0 CA B:GLU158 4.6 15.0 1.0 C4 H:DC19 4.6 10.8 1.0 C3' H:DC19 4.6 10.8 1.0 C09 B:1L0304 4.7 10.8 1.0 N2 K:DG4 4.7 10.8 1.0 F23 B:1L0304 4.8 10.8 1.0 O15 B:1L0304 4.9 10.8 1.0 C08 B:1L0304 4.9 10.8 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