Chlorine in PDB 2idw: Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Potent Non-Peptide Inhibitor (Uic-94017)

All present enzymatic activity of Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Potent Non-Peptide Inhibitor (Uic-94017):
3.4.23.16;

The structure of Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Potent Non-Peptide Inhibitor (Uic-94017), PDB code: 2idw was solved by Y.Tie, P.I.Boross, Y.F.Wang, L.Gaddis, D.Manna, A.K.Hussain, S.Leshchenko, A.K.Ghosh, J.M.Louis, R.W.Harrison, I.T.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.790, 57.874, 61.939, 90.00, 90.00, 90.00
R / Rfree (%)	11.6 / 14.5

The binding sites of Chlorine atom in the Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Potent Non-Peptide Inhibitor (Uic-94017) (pdb code 2idw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Potent Non-Peptide Inhibitor (Uic-94017), PDB code: 2idw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Potent Non-Peptide Inhibitor (Uic-94017)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Potent Non-Peptide Inhibitor (Uic-94017) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:24.7 occ:0.50 CL A:CL501 0.0 24.7 0.5 CL A:CL501 1.4 12.0 0.5 O A:HOH1163 1.6 39.4 1.0 O A:HOH1237 3.1 19.4 0.5 O A:HOH1231 3.5 20.8 0.5 ND2 A:ASN88 4.0 6.4 1.0 N A:THR74 4.0 7.3 1.0 CB A:ASN88 4.1 5.7 1.0 OG1 A:THR74 4.2 12.3 1.0 CA A:GLY73 4.3 7.3 1.0 O A:HOH1024 4.5 13.8 1.0 CB A:THR74 4.6 9.1 1.0 O A:HOH1234 4.6 22.6 0.5 CG A:ASN88 4.6 5.6 1.0 O A:ASN88 4.7 7.0 1.0 C A:GLY73 4.8 6.7 1.0 NE2 A:GLN92 4.8 17.3 1.0 O A:HOH1241 4.9 31.5 0.5 O A:HOH1223 4.9 27.9 0.7 CA A:THR74 5.0 7.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Potent Non-Peptide Inhibitor (Uic-94017)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Potent Non-Peptide Inhibitor (Uic-94017) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:12.0 occ:0.50 CL A:CL501 0.0 12.0 0.5 CL A:CL501 1.4 24.7 0.5 O A:HOH1163 2.5 39.4 1.0 ND2 A:ASN88 2.9 6.4 1.0 N A:THR74 2.9 7.3 1.0 O A:HOH1237 3.1 19.4 0.5 CA A:GLY73 3.5 7.3 1.0 CB A:THR74 3.6 9.1 1.0 OG1 A:THR74 3.6 12.3 1.0 CB A:ASN88 3.7 5.7 1.0 C A:GLY73 3.7 6.7 1.0 CG A:ASN88 3.7 5.6 1.0 CA A:THR74 3.8 7.4 1.0 O A:HOH1231 4.1 20.8 0.5 O A:HOH1223 4.3 27.9 0.7 O A:HOH1024 4.3 13.8 1.0 O A:THR74 4.4 7.1 1.0 O A:ASN88 4.5 7.0 1.0 C A:THR74 4.6 6.7 1.0 CD2 A:LEU89 4.7 9.0 1.0 CA A:ASN88 4.8 5.3 1.0 C A:ASN88 4.8 5.5 1.0 NE2 A:GLN92 4.9 17.3 1.0 N A:GLY73 4.9 6.6 1.0 O A:GLY73 4.9 8.4 1.0 OD1 A:ASN88 4.9 6.0 1.0 O A:ILE72 5.0 9.7 1.0

Y.Tie, P.I.Boross, Y.F.Wang, L.Gaddis, A.K.Hussain, S.Leshchenko, A.K.Ghosh, J.M.Louis, R.W.Harrison, I.T.Weber. High Resolution Crystal Structures of Hiv-1 Protease with A Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains. J.Mol.Biol. V. 338 341 2004.
ISSN: ISSN 0022-2836
PubMed: 15066436
DOI: 10.1016/J.JMB.2004.02.052