Chlorine in PDB 6dil: Hiv-1 Protease with Single Mutation L76V in Complex with Tipranavir

The structure of Hiv-1 Protease with Single Mutation L76V in Complex with Tipranavir, PDB code: 6dil was solved by A.E.Wong-Sam, Y.-F.Wang, I.T.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.77 / 1.48
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.604, 86.403, 46.156, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 21.4

The structure of Hiv-1 Protease with Single Mutation L76V in Complex with Tipranavir also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Hiv-1 Protease with Single Mutation L76V in Complex with Tipranavir (pdb code 6dil). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Hiv-1 Protease with Single Mutation L76V in Complex with Tipranavir, PDB code: 6dil:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Hiv-1 Protease with Single Mutation L76V in Complex with Tipranavir


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hiv-1 Protease with Single Mutation L76V in Complex with Tipranavir within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:15.6 occ:1.00 O A:HOH662 3.1 51.2 1.0 N A:THR74 3.2 11.4 1.0 ND2 A:ASN88 3.3 10.1 1.0 CA A:GLY73 3.8 12.6 1.0 CB A:ASN88 3.8 9.9 1.0 OG1 A:THR74 3.8 15.0 1.0 CB A:THR74 3.9 11.9 1.0 C A:GLY73 4.0 10.7 1.0 CG A:ASN88 4.0 11.8 1.0 CA A:THR74 4.2 11.1 1.0 O A:HOH617 4.5 24.3 1.0 O A:THR74 4.7 12.1 1.0 O A:ASN88 4.7 10.9 1.0 CA A:ASN88 4.9 8.7 1.0 C A:THR74 5.0 10.2 1.0

Chlorine binding site 2 out of 2 in the Hiv-1 Protease with Single Mutation L76V in Complex with Tipranavir


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hiv-1 Protease with Single Mutation L76V in Complex with Tipranavir within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:22.3 occ:1.00 O A:HOH628 3.3 15.4 1.0 NE1 B:TRP6 3.3 12.8 1.0 O B:HOH381 3.3 38.8 1.0 CZ2 B:TRP6 3.8 12.5 1.0 CE2 B:TRP6 3.9 12.6 1.0 CG2 B:THR4 4.3 18.1 1.0 CD1 B:TRP6 4.5 12.5 1.0 CB B:THR4 4.9 13.3 1.0

A.Wong-Sam, Y.F.Wang, Y.Zhang, A.K.Ghosh, R.W.Harrison, I.T.Weber. Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of Hiv-1 Protease. Acs Omega V. 3 12132 2018.
ISSN: ESSN 2470-1343
PubMed: 30288468
DOI: 10.1021/ACSOMEGA.8B01683