Fluorine in PDB 7kjw: Structure of Hiv-1 Reverse Transcriptase Initiation Complex Core with Efavirenz

All present enzymatic activity of Structure of Hiv-1 Reverse Transcriptase Initiation Complex Core with Efavirenz:
2.7.7.49; 2.7.7.7; 3.1.26.13;

The structure of Structure of Hiv-1 Reverse Transcriptase Initiation Complex Core with Efavirenz also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the Structure of Hiv-1 Reverse Transcriptase Initiation Complex Core with Efavirenz (pdb code 7kjw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure of Hiv-1 Reverse Transcriptase Initiation Complex Core with Efavirenz, PDB code: 7kjw:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structure of Hiv-1 Reverse Transcriptase Initiation Complex Core with Efavirenz


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Hiv-1 Reverse Transcriptase Initiation Complex Core with Efavirenz within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:20.0 occ:1.00 F1 A:EFZ602 0.0 20.0 1.0 C13 A:EFZ602 1.4 20.0 1.0 F3 A:EFZ602 2.3 20.0 1.0 F2 A:EFZ602 2.3 20.0 1.0 C7 A:EFZ602 2.4 20.0 1.0 O2 A:EFZ602 2.8 20.0 1.0 C8 A:EFZ602 2.8 20.0 1.0 CG1 A:VAL179 3.4 36.6 1.0 O A:VAL179 3.6 36.6 1.0 O A:TYR188 3.6 36.9 1.0 C9 A:EFZ602 3.6 20.0 1.0 CB A:TYR181 3.6 37.1 1.0 C14 A:EFZ602 3.6 20.0 1.0 C6 A:EFZ602 3.7 20.0 1.0 N A:TYR181 3.9 37.1 1.0 O1 A:EFZ602 4.1 20.0 1.0 N A:GLY190 4.1 36.3 1.0 C A:VAL179 4.2 36.6 1.0 CB A:TYR188 4.2 36.9 1.0 C A:TYR188 4.3 36.9 1.0 CA A:TYR181 4.4 37.1 1.0 C A:ILE180 4.4 38.0 1.0 CB A:VAL179 4.4 36.6 1.0 N A:EFZ602 4.4 20.0 1.0 C5 A:EFZ602 4.5 20.0 1.0 C1 A:EFZ602 4.5 20.0 1.0 N A:ILE180 4.6 38.0 1.0 CA A:GLY190 4.7 36.3 1.0 CA A:ILE180 4.7 38.0 1.0 C10 A:EFZ602 4.8 20.0 1.0 CG A:TYR181 4.8 37.1 1.0 CA A:TYR188 4.9 36.9 1.0 N A:VAL189 4.9 38.2 1.0 CA A:VAL179 5.0 36.6 1.0

Fluorine binding site 2 out of 3 in the Structure of Hiv-1 Reverse Transcriptase Initiation Complex Core with Efavirenz


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Hiv-1 Reverse Transcriptase Initiation Complex Core with Efavirenz within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:20.0 occ:1.00 F2 A:EFZ602 0.0 20.0 1.0 C13 A:EFZ602 1.4 20.0 1.0 F1 A:EFZ602 2.3 20.0 1.0 F3 A:EFZ602 2.3 20.0 1.0 C7 A:EFZ602 2.4 20.0 1.0 O2 A:EFZ602 2.8 20.0 1.0 C14 A:EFZ602 2.8 20.0 1.0 C6 A:EFZ602 2.8 20.0 1.0 N A:EFZ602 3.0 20.0 1.0 C1 A:EFZ602 3.1 20.0 1.0 CA A:GLY190 3.2 36.3 1.0 N A:GLY190 3.4 36.3 1.0 O1 A:EFZ602 3.4 20.0 1.0 C8 A:EFZ602 3.7 20.0 1.0 CG A:LYS103 3.8 33.7 1.0 C5 A:EFZ602 3.8 20.0 1.0 CG1 A:VAL179 3.8 36.6 1.0 O A:VAL179 3.9 36.6 1.0 CE A:LYS103 4.0 33.7 1.0 C A:GLY190 4.1 36.3 1.0 C2 A:EFZ602 4.2 20.0 1.0 CB A:VAL179 4.2 36.6 1.0 CD A:LYS103 4.3 33.7 1.0 O A:GLY190 4.5 36.3 1.0 C A:VAL189 4.6 38.2 1.0 CG2 A:VAL106 4.6 34.7 1.0 C A:VAL179 4.7 36.6 1.0 CG1 A:VAL106 4.7 34.7 1.0 C4 A:EFZ602 4.7 20.0 1.0 C9 A:EFZ602 4.8 20.0 1.0 CB A:LYS103 4.8 33.7 1.0 C3 A:EFZ602 4.9 20.0 1.0 O A:TYR188 5.0 36.9 1.0 N A:SER191 5.0 38.1 1.0

Fluorine binding site 3 out of 3 in the Structure of Hiv-1 Reverse Transcriptase Initiation Complex Core with Efavirenz


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Hiv-1 Reverse Transcriptase Initiation Complex Core with Efavirenz within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:20.0 occ:1.00 F3 A:EFZ602 0.0 20.0 1.0 C13 A:EFZ602 1.4 20.0 1.0 F1 A:EFZ602 2.3 20.0 1.0 F2 A:EFZ602 2.3 20.0 1.0 C7 A:EFZ602 2.4 20.0 1.0 C8 A:EFZ602 2.8 20.0 1.0 C6 A:EFZ602 2.9 20.0 1.0 C5 A:EFZ602 3.0 20.0 1.0 CB A:TYR188 3.3 36.9 1.0 C9 A:EFZ602 3.6 20.0 1.0 CG1 A:VAL106 3.6 34.7 1.0 N A:GLY190 3.6 36.3 1.0 O2 A:EFZ602 3.7 20.0 1.0 C A:TYR188 3.8 36.9 1.0 O A:TYR188 3.8 36.9 1.0 C1 A:EFZ602 3.9 20.0 1.0 CA A:GLY190 4.0 36.3 1.0 CA A:TYR188 4.1 36.9 1.0 N A:VAL189 4.1 38.2 1.0 C4 A:EFZ602 4.2 20.0 1.0 CD1 A:TYR188 4.2 36.9 1.0 CG A:TYR188 4.2 36.9 1.0 C A:VAL189 4.3 38.2 1.0 C14 A:EFZ602 4.3 20.0 1.0 N A:EFZ602 4.5 20.0 1.0 O A:VAL179 4.6 36.6 1.0 CA A:VAL189 4.6 38.2 1.0 CG2 A:VAL106 4.7 34.7 1.0 CB A:VAL106 4.8 34.7 1.0 C10 A:EFZ602 4.8 20.0 1.0 C2 A:EFZ602 4.8 20.0 1.0 C3 A:EFZ602 4.9 20.0 1.0 CB A:TYR181 5.0 37.1 1.0

B.Ha, K.P.Larsen, J.Zhang, Z.Fu, E.Montabana, L.N.Jackson, D.H.Chen, E.V.Puglisi. High-Resolution View of Hiv-1 Reverse Transcriptase Initiation and Its Inhibition By Nnrti Drugs To Be Published.