Chlorine in PDB 2r3w: I84V Hiv-1 Protease in Complex with A Amino Decorated Pyrrolidine-Based Inhibitor

All present enzymatic activity of I84V Hiv-1 Protease in Complex with A Amino Decorated Pyrrolidine-Based Inhibitor:
3.4.23.16;

The structure of I84V Hiv-1 Protease in Complex with A Amino Decorated Pyrrolidine-Based Inhibitor, PDB code: 2r3w was solved by J.Boettcher, A.Blum, A.Heine, W.E.Diederich, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.92
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.336, 85.763, 46.560, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 23.1

The binding sites of Chlorine atom in the I84V Hiv-1 Protease in Complex with A Amino Decorated Pyrrolidine-Based Inhibitor (pdb code 2r3w). 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 I84V Hiv-1 Protease in Complex with A Amino Decorated Pyrrolidine-Based Inhibitor, PDB code: 2r3w:

Chlorine binding site 1 out of 1 in the I84V Hiv-1 Protease in Complex with A Amino Decorated Pyrrolidine-Based Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of I84V Hiv-1 Protease in Complex with A Amino Decorated Pyrrolidine-Based Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2601 b:27.6 occ:1.00 NE1 B:TRP6 3.1 19.1 1.0 O A:HOH3007 3.3 18.0 1.0 CZ2 B:TRP6 3.8 21.8 1.0 CE2 B:TRP6 3.8 23.2 1.0 CD1 B:TRP6 4.3 23.4 1.0 CG2 B:THR4 4.4 27.4 1.0 CB B:THR4 4.8 27.4 1.0

J.Bottcher, A.Blum, A.Heine, W.E.Diederich, G.Klebe. Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant ILE84VAL Mutant of Hiv-1 Protease J.Mol.Biol. V. 383 347 2008.
ISSN: ISSN 0022-2836
PubMed: 18692068
DOI: 10.1016/J.JMB.2008.07.062