Chlorine in PDB 2bpy: Hiv-1 Protease-Inhibitor Complex

All present enzymatic activity of Hiv-1 Protease-Inhibitor Complex:
3.4.23.16;

The structure of Hiv-1 Protease-Inhibitor Complex, PDB code: 2bpy was solved by S.Munshi, Z.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.640, 87.280, 46.830, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / n/a

The binding sites of Chlorine atom in the Hiv-1 Protease-Inhibitor Complex (pdb code 2bpy). 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 Hiv-1 Protease-Inhibitor Complex, PDB code: 2bpy:

Chlorine binding site 1 out of 1 in the Hiv-1 Protease-Inhibitor Complex


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-Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl902 b:13.3 occ:1.00 CL1 B:3IN902 0.0 13.3 1.0 C33 B:3IN902 1.7 35.0 1.0 N6 B:3IN902 2.7 25.9 1.0 C34 B:3IN902 2.7 39.4 1.0 N5 B:3IN902 3.1 49.8 1.0 C37 B:3IN902 3.6 55.7 1.0 CZ A:PHE53 3.6 15.9 1.0 C A:GLY48 3.8 15.0 1.0 O A:GLY48 3.8 12.5 1.0 N7 B:3IN902 3.9 34.7 1.0 C32 B:3IN902 4.0 23.3 1.0 C26 B:3IN902 4.0 55.5 1.0 CA A:GLY48 4.0 14.7 1.0 CE1 A:PHE53 4.0 17.0 1.0 N A:GLY49 4.2 14.2 1.0 O A:HOH501 4.4 20.9 1.0 CE2 A:PHE53 4.4 15.6 1.0 C36 B:3IN902 4.4 27.6 1.0 N A:GLY48 4.5 13.0 1.0 O A:HOH619 4.6 30.5 1.0 CG B:PRO81 4.7 18.8 1.0 CA A:GLY49 4.7 15.1 1.0 CB B:PRO81 4.8 15.0 1.0

S.Munshi, Z.Chen, Y.Li, D.B.Olsen, M.E.Fraley, R.W.Hungate, L.C.Kuo. Rapid X-Ray Diffraction Analysis of Hiv-1 Protease-Inhibitor Complexes: Inhibitor Exchange in Single Crystals of the Bound Enzyme. Acta Crystallogr.,Sect.D V. 54 1053 1998.
ISSN: ISSN 0907-4449
PubMed: 9757136
DOI: 10.1107/S0907444998003588