Chlorine in PDB 1c6x: Alternate Binding Site For the P1-P3 Group of A Class of Potent Hiv-1 Protease Inhibitors As A Result of Concerted Structural Change in 80'S Loop.

The structure of Alternate Binding Site For the P1-P3 Group of A Class of Potent Hiv-1 Protease Inhibitors As A Result of Concerted Structural Change in 80'S Loop., PDB code: 1c6x was solved by S.Munshi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.210, 88.210, 32.920, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 30

The binding sites of Chlorine atom in the Alternate Binding Site For the P1-P3 Group of A Class of Potent Hiv-1 Protease Inhibitors As A Result of Concerted Structural Change in 80'S Loop. (pdb code 1c6x). 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 Alternate Binding Site For the P1-P3 Group of A Class of Potent Hiv-1 Protease Inhibitors As A Result of Concerted Structural Change in 80'S Loop., PDB code: 1c6x:

Chlorine binding site 1 out of 1 in the Alternate Binding Site For the P1-P3 Group of A Class of Potent Hiv-1 Protease Inhibitors As A Result of Concerted Structural Change in 80'S Loop.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Alternate Binding Site For the P1-P3 Group of A Class of Potent Hiv-1 Protease Inhibitors As A Result of Concerted Structural Change in 80'S Loop. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl622 b:13.4 occ:0.00 CL1 B:3IN622 0.0 13.4 0.0 C33 B:3IN622 1.7 47.1 0.0 N6 B:3IN622 2.7 46.2 0.0 C34 B:3IN622 2.7 47.1 0.0 N5 B:3IN622 3.1 47.0 0.0 C37 B:3IN622 3.7 46.8 0.0 C26 B:3IN622 3.8 46.7 0.0 C32 B:3IN622 4.0 45.2 0.0 N7 B:3IN622 4.0 47.1 0.0 CA A:GLY48 4.2 39.5 1.0 O A:GLY48 4.4 39.3 1.0 CZ A:PHE53 4.4 59.6 1.0 C36 B:3IN622 4.4 46.3 0.0 C A:GLY48 4.4 39.2 1.0 CE2 A:PHE53 4.6 56.1 1.0 CB B:PRO281 4.7 27.4 1.0 N A:GLY48 4.8 38.8 1.0 O A:GLY49 4.9 38.1 1.0 CG B:PRO281 5.0 29.7 1.0

S.Munshi, Z.Chen, Y.Yan, Y.Li, D.B.Olsen, H.B.Schock, B.B.Galvin, B.Dorsey, L.C.Kuo. An Alternate Binding Site For the P1-P3 Group of A Class of Potent Hiv-1 Protease Inhibitors As A Result of Concerted Structural Change in the 80S Loop of the Protease. Acta Crystallogr.,Sect.D V. 56 381 2000.
ISSN: ISSN 0907-4449
PubMed: 10739910
DOI: 10.1107/S0907444900000469