Chlorine in PDB 2o4k: Crystal Structure of Hiv-1 Protease (Q7K) in Complex with Atazanavir

The structure of Crystal Structure of Hiv-1 Protease (Q7K) in Complex with Atazanavir, PDB code: 2o4k was solved by A.A.Armstrong, S.Muzammil, A.Jakalian, P.R.Bonneau, V.Schmelmer, E.Freire, L.M.Amzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.82 / 1.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.741, 85.805, 46.242, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 20.9

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Protease (Q7K) in Complex with Atazanavir (pdb code 2o4k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Hiv-1 Protease (Q7K) in Complex with Atazanavir, PDB code: 2o4k:

Chlorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Protease (Q7K) in Complex with Atazanavir


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hiv-1 Protease (Q7K) in Complex with Atazanavir within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl300 b:19.0 occ:1.00 O A:HOH350 3.0 27.6 1.0 ND2 A:ASN88 3.2 21.9 1.0 N A:THR74 3.2 21.9 1.0 OG1 A:THR74 3.7 21.4 1.0 CA A:GLY73 3.8 22.0 1.0 CB A:ASN88 3.8 21.1 1.0 CB A:THR74 3.8 22.3 1.0 CG A:ASN88 4.0 21.6 1.0 C A:GLY73 4.0 22.0 1.0 CA A:THR74 4.1 21.4 1.0 O A:HOH318 4.2 20.4 1.0 O A:HOH418 4.4 40.6 1.0 O A:ASN88 4.7 21.6 1.0 O A:HOH322 4.7 24.9 1.0 O A:THR74 4.8 20.8 1.0 CA A:ASN88 4.9 20.9 1.0 C A:THR74 5.0 21.5 1.0 C A:ASN88 5.0 20.9 1.0

S.Muzammil, A.A.Armstrong, L.W.Kang, A.Jakalian, P.R.Bonneau, V.Schmelmer, L.M.Amzel, E.Freire. Unique Thermodynamic Response of Tipranavir to Human Immunodeficiency Virus Type 1 Protease Drug Resistance Mutations. J.Virol. V. 81 5144 2007.
ISSN: ISSN 0022-538X
PubMed: 17360759
DOI: 10.1128/JVI.02706-06