Chlorine in PDB 2nmy: Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Inhibitor Saquinavir

All present enzymatic activity of Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Inhibitor Saquinavir:
3.4.23.16;

The structure of Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Inhibitor Saquinavir, PDB code: 2nmy was solved by Y.Tie, A.Y.Kovalevsky, P.Boross, Y.F.Wang, A.K.Ghosh, J.Tozser, 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 2
Cell size a, b, c (Å), α, β, γ (°)	59.988, 87.464, 47.190, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 18.1

The structure of Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Inhibitor Saquinavir also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Inhibitor Saquinavir (pdb code 2nmy). 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 Inhibitor Saquinavir, PDB code: 2nmy:
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 Inhibitor Saquinavir


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 Inhibitor Saquinavir within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:18.8 occ:1.00 O A:HOH1141 3.0 42.7 1.0 N A:THR74 3.3 11.4 1.0 ND2 A:ASN88 3.3 11.9 1.0 OG1 A:THR74 3.8 14.8 1.0 CA A:GLY73 3.8 11.9 1.0 CB A:ASN88 3.9 10.5 1.0 CB A:THR74 3.9 12.3 1.0 C A:GLY73 4.1 11.1 1.0 CG A:ASN88 4.2 10.5 1.0 CA A:THR74 4.2 10.8 1.0 O A:HOH1029 4.5 17.8 1.0 O A:HOH1211 4.6 44.7 1.0 O A:ASN88 4.7 11.6 1.0 O A:THR74 4.8 11.1 1.0 CA A:ASN88 5.0 9.7 1.0 O A:HOH1076 5.0 38.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Inhibitor Saquinavir


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 Inhibitor Saquinavir within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:15.5 occ:1.00 O B:HOH1219 3.2 27.2 1.0 O B:HOH1160 3.3 17.0 1.0 CB B:PRO144 4.0 13.9 1.0 CH2 B:TRP142 4.0 13.8 1.0 CZ3 B:TRP142 4.1 12.8 1.0 O B:HOH1107 4.3 41.4 1.0 O B:HOH1162 4.7 22.5 1.0 CA B:PRO144 4.8 12.0 1.0 CD B:LYS155 4.8 37.1 0.7 CE B:LYS155 4.8 46.8 0.7 O B:HOH1105 4.9 32.0 1.0

Y.Tie, A.Y.Kovalevsky, P.Boross, Y.F.Wang, A.K.Ghosh, J.Tozser, R.W.Harrison, I.T.Weber. Atomic Resolution Crystal Structures of Hiv-1 Protease and Mutants V82A and I84V with Saquinavir. Proteins V. 67 232 2007.
ISSN: ISSN 0887-3585
PubMed: 17243183
DOI: 10.1002/PROT.21304