Chlorine in PDB 3r0w: Crystal Structures of Multidrug-Resistant Hiv-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors.

The structure of Crystal Structures of Multidrug-Resistant Hiv-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors., PDB code: 3r0w was solved by R.S.Yedidi, D.Gupta, Z.Liu, J.Brunzelle, I.A.Kovari, P.M.Woster, L.C.Kovari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.98 / 1.70
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	45.727, 45.727, 102.149, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 24.5

The binding sites of Chlorine atom in the Crystal Structures of Multidrug-Resistant Hiv-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors. (pdb code 3r0w). 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 Structures of Multidrug-Resistant Hiv-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors., PDB code: 3r0w:

Chlorine binding site 1 out of 1 in the Crystal Structures of Multidrug-Resistant Hiv-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structures of Multidrug-Resistant Hiv-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:63.7 occ:0.40 CL14 A:RSY301 0.0 63.7 0.4 C13 A:RSY301 1.8 62.5 0.4 C12 A:RSY301 2.7 62.1 0.4 O A:HOH211 2.8 41.3 1.0 C10 A:RSY301 3.0 62.3 0.4 N09 A:RSY301 3.3 62.5 0.4 O11 A:RSY301 3.5 62.4 0.4 N15 A:RSY301 4.0 61.1 0.4 C01 A:RSY301 4.1 62.8 0.4 C05 A:RSY301 4.3 62.7 0.4 O A:HOH195 4.3 34.6 1.0 O A:HOH206 4.8 42.8 1.0 O B:HOH153 4.9 23.6 1.0 C16 A:RSY301 5.0 60.1 0.4 C02 A:RSY301 5.0 62.9 0.4

R.S.Yedidi, Z.Liu, Y.Wang, J.S.Brunzelle, I.A.Kovari, P.M.Woster, L.C.Kovari, D.Gupta. Crystal Structures of Multidrug-Resistant Hiv-1 Protease in Complex with Two Potent Anti-Malarial Compounds. Biochem.Biophys.Res.Commun. V. 421 413 2012.
ISSN: ISSN 0006-291X
PubMed: 22469467
DOI: 10.1016/J.BBRC.2012.03.096