Chlorine in PDB 3tl9: Crystal Structure of Hiv Protease Model Precursor/Saquinavir Complex

All present enzymatic activity of Crystal Structure of Hiv Protease Model Precursor/Saquinavir Complex:
3.4.23.16;

The structure of Crystal Structure of Hiv Protease Model Precursor/Saquinavir Complex, PDB code: 3tl9 was solved by J.Agniswamy, J.Sayer, I.Weber, J.Louis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.32
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	59.414, 86.100, 46.097, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 20.4

The structure of Crystal Structure of Hiv Protease Model Precursor/Saquinavir Complex also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Hiv Protease Model Precursor/Saquinavir Complex (pdb code 3tl9). 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 Protease Model Precursor/Saquinavir Complex, PDB code: 3tl9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Hiv Protease Model Precursor/Saquinavir Complex


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 Protease Model Precursor/Saquinavir Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:13.5 occ:0.60 O A:HOH560 3.1 35.2 1.0 N A:THR74 3.2 12.9 1.0 ND2 A:ASN88 3.2 13.9 1.0 CA A:GLY73 3.8 13.8 1.0 CB A:ASN88 3.8 12.8 1.0 CB A:THR74 3.9 14.0 1.0 OG1 A:THR74 3.9 16.3 1.0 C A:GLY73 4.0 13.5 1.0 CG A:ASN88 4.0 13.8 1.0 CA A:THR74 4.1 12.5 1.0 O A:HOH580 4.1 48.5 0.8 O A:HOH511 4.5 20.5 1.0 O A:ASN88 4.5 15.1 1.0 O A:THR74 4.7 13.4 1.0 CA A:ASN88 4.8 11.9 1.0 C A:ASN88 4.9 12.7 1.0 C A:THR74 4.9 13.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Hiv Protease Model Precursor/Saquinavir Complex


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 Protease Model Precursor/Saquinavir Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:15.6 occ:0.60 O B:HOH1006 2.8 19.8 1.0 ND2 B:ASN88 3.1 11.5 1.0 N B:THR74 3.1 11.9 1.0 OG1 B:THR74 3.7 17.5 1.0 CA B:GLY73 3.8 12.4 1.0 O B:HOH1069 3.8 48.2 0.8 CB B:THR74 3.8 14.4 1.0 CB B:ASN88 3.8 11.8 1.0 CG B:ASN88 4.0 11.5 1.0 C B:GLY73 4.0 11.1 1.0 CA B:THR74 4.0 11.6 1.0 O B:HOH1005 4.2 18.4 1.0 NE2 B:GLN92 4.4 14.3 1.0 O B:ASN88 4.4 15.7 1.0 CD2 B:LEU89 4.4 16.3 1.0 O B:THR74 4.6 12.7 1.0 C B:ASN88 4.7 12.5 1.0 CA B:ASN88 4.8 11.6 1.0 C B:THR74 4.9 12.6 1.0

J.Agniswamy, J.M.Sayer, I.T.Weber, J.M.Louis. Terminal Interface Conformations Modulate Dimer Stability Prior to Amino Terminal Autoprocessing of Hiv-1 Protease. Biochemistry V. 51 1041 2012.
ISSN: ISSN 0006-2960
PubMed: 22242794
DOI: 10.1021/BI201809S