Chlorine in PDB 4hdf: Crystal Structure of Hiv-1 Protease Mutants V82A Complexed with Inhibitor Grl-0519

All present enzymatic activity of Crystal Structure of Hiv-1 Protease Mutants V82A Complexed with Inhibitor Grl-0519:
3.4.23.16;

The structure of Crystal Structure of Hiv-1 Protease Mutants V82A Complexed with Inhibitor Grl-0519, PDB code: 4hdf was solved by H.Zhang, Y.-F.Wang, I.T.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.29
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.613, 86.148, 46.333, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 20.9

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Protease Mutants V82A Complexed with Inhibitor Grl-0519 (pdb code 4hdf). 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 Mutants V82A Complexed with Inhibitor Grl-0519, PDB code: 4hdf:

Chlorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Protease Mutants V82A Complexed with Inhibitor Grl-0519


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 Mutants V82A Complexed with Inhibitor Grl-0519 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl101 b:30.8 occ:0.50 O B:HOH1057 3.6 34.1 1.0 NE2 B:HIS69 3.7 26.4 1.0 CD B:PRO1 4.2 27.9 1.0 CE1 B:HIS69 4.4 24.6 1.0 CD2 B:HIS69 4.8 23.1 1.0 N B:PRO1 4.8 22.7 1.0

H.Zhang, Y.F.Wang, C.H.Shen, J.Agniswamy, K.V.Rao, C.X.Xu, A.K.Ghosh, R.W.Harrison, I.T.Weber. Novel P2 Tris-Tetrahydrofuran Group in Antiviral Compound 1 (Grl-0519) Fills the S2 Binding Pocket of Selected Mutants of Hiv-1 Protease. J.Med.Chem. V. 56 1074 2013.
ISSN: ISSN 0022-2623
PubMed: 23298236
DOI: 10.1021/JM301519Z