Chlorine in PDB 3d1y: Crystal Structure of Hiv-1 Mutant I54V and Inhibitor Saquina

All present enzymatic activity of Crystal Structure of Hiv-1 Mutant I54V and Inhibitor Saquina:
3.4.23.16;

The structure of Crystal Structure of Hiv-1 Mutant I54V and Inhibitor Saquina, PDB code: 3d1y was solved by F.Liu, I.T.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.05
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.720, 85.940, 46.380, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 17.4

The structure of Crystal Structure of Hiv-1 Mutant I54V and Inhibitor Saquina also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Mutant I54V and Inhibitor Saquina (pdb code 3d1y). 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 of Hiv-1 Mutant I54V and Inhibitor Saquina, PDB code: 3d1y:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Hiv-1 Mutant I54V and Inhibitor Saquina


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 Mutant I54V and Inhibitor Saquina within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:15.7 occ:1.00 O A:HOH1061 3.0 29.7 1.0 N A:THR74 3.2 10.5 1.0 ND2 A:ASN88 3.3 11.3 1.0 CA A:GLY73 3.7 11.1 1.0 OG1 A:THR74 3.8 13.7 1.0 CB A:ASN88 3.8 10.2 1.0 CB A:THR74 3.8 11.9 1.0 C A:GLY73 4.0 10.4 1.0 CG A:ASN88 4.0 9.9 1.0 CA A:THR74 4.1 10.3 1.0 O A:HOH1021 4.4 17.5 1.0 O A:HOH1192 4.5 49.6 1.0 O A:ASN88 4.6 10.8 1.0 O A:THR74 4.7 10.8 1.0 CA A:ASN88 4.9 9.4 1.0 C A:THR74 4.9 10.4 1.0 C A:ASN88 5.0 9.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Hiv-1 Mutant I54V and Inhibitor Saquina


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hiv-1 Mutant I54V and Inhibitor Saquina within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl803 b:15.0 occ:1.00 O A:HOH1014 3.3 12.7 1.0 NE1 B:TRP106 3.3 11.2 1.0 CZ2 B:TRP106 3.9 11.2 1.0 CE2 B:TRP106 4.0 10.3 1.0 CG2 B:THR104 4.3 20.7 1.0 CD1 B:TRP106 4.5 11.0 1.0 O B:HOH1116 4.8 33.8 1.0 CB B:THR104 4.9 13.1 1.0

F.Liu, A.Y.Kovalevsky, Y.Tie, A.K.Ghosh, R.W.Harrison, I.T.Weber. Effect of Flap Mutations on Structure of Hiv-1 Protease and Inhibition By Saquinavir and Darunavir. J.Mol.Biol. V. 381 102 2008.
ISSN: ISSN 0022-2836
PubMed: 18597780
DOI: 10.1016/J.JMB.2008.05.062