Chlorine in PDB 3t11: Dimeric Inhibitor of Hiv-1 Protease.

All present enzymatic activity of Dimeric Inhibitor of Hiv-1 Protease.:
3.4.23.16;

The structure of Dimeric Inhibitor of Hiv-1 Protease., PDB code: 3t11 was solved by J.Brynda, P.Rezacova, G.K.Saskova, M.Kozisek, J.Konvalinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.08 / 2.22
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	30.755, 49.221, 122.524, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 25.6

The binding sites of Chlorine atom in the Dimeric Inhibitor of Hiv-1 Protease. (pdb code 3t11). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Dimeric Inhibitor of Hiv-1 Protease., PDB code: 3t11:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Dimeric Inhibitor of Hiv-1 Protease.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dimeric Inhibitor of Hiv-1 Protease. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:26.1 occ:1.00 CL1 A:3T1101 0.0 26.1 1.0 C20 A:3T1101 1.8 19.3 1.0 C19 A:3T1101 2.7 20.0 1.0 C21 A:3T1101 2.8 21.6 1.0 O21 A:3T1101 3.2 22.5 1.0 CB B:PRO81 3.6 27.5 1.0 CG B:PRO81 3.7 27.4 1.0 O A:GLY48 3.8 25.3 1.0 C18 A:3T1101 4.0 15.9 1.0 CA A:GLY49 4.0 24.3 1.0 C22 A:3T1101 4.1 20.9 1.0 C A:GLY48 4.1 25.4 1.0 O A:HOH216 4.1 26.6 1.0 N A:GLY49 4.3 24.6 1.0 C A:GLY49 4.4 25.2 1.0 O A:GLY49 4.5 26.6 1.0 O A:HOH215 4.5 27.2 1.0 C23 A:3T1101 4.5 18.0 1.0 CA A:GLY48 4.9 25.9 1.0

Chlorine binding site 2 out of 3 in the Dimeric Inhibitor of Hiv-1 Protease.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dimeric Inhibitor of Hiv-1 Protease. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:16.4 occ:1.00 N5 A:3T1101 3.2 19.3 1.0 N A:ILE50 3.3 24.8 1.0 N B:ILE50 3.3 26.1 1.0 N5 B:3T1101 3.3 19.6 1.0 C6 B:3T1101 3.5 21.8 1.0 CA B:GLY49 3.5 25.8 1.0 CA A:GLY49 3.6 24.3 1.0 C6 A:3T1101 3.6 18.8 1.0 C4 A:3T1101 3.7 19.6 1.0 C4 B:3T1101 3.8 19.7 1.0 C B:GLY49 3.9 26.0 1.0 C26 A:3T1101 3.9 18.5 1.0 CG1 A:ILE50 3.9 23.3 1.0 C A:GLY49 3.9 25.2 1.0 C26 B:3T1101 3.9 20.4 1.0 CG2 B:ILE50 4.0 28.6 1.0 C25 A:3T1101 4.0 20.0 1.0 CG1 B:ILE50 4.1 27.4 1.0 CB A:ILE50 4.1 24.7 1.0 C25 B:3T1101 4.2 18.8 1.0 CA A:ILE50 4.3 25.1 1.0 CB B:ILE50 4.3 27.3 1.0 CA B:ILE50 4.4 26.9 1.0 C7 B:3T1101 4.7 20.0 1.0 CD1 A:ILE50 4.7 25.6 1.0 C7 A:3T1101 4.8 18.4 1.0 N A:GLY49 4.9 24.6 1.0 N B:GLY49 4.9 25.3 1.0 O A:ILE50 5.0 25.4 1.0

Chlorine binding site 3 out of 3 in the Dimeric Inhibitor of Hiv-1 Protease.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Dimeric Inhibitor of Hiv-1 Protease. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl101 b:32.8 occ:1.00 CL1 B:3T1101 0.0 32.8 1.0 C20 B:3T1101 1.7 20.2 1.0 C19 B:3T1101 2.7 20.2 1.0 C21 B:3T1101 2.8 22.0 1.0 O21 B:3T1101 3.2 23.7 1.0 CG A:PRO81 3.8 29.1 1.0 O B:GLY48 3.9 25.2 1.0 CB A:PRO81 4.0 28.7 1.0 C18 B:3T1101 4.0 19.6 1.0 C22 B:3T1101 4.1 20.3 1.0 C B:GLY48 4.2 25.7 1.0 CA B:GLY49 4.4 25.8 1.0 C B:GLY49 4.4 26.0 1.0 O B:HOH206 4.5 33.9 1.0 O B:GLY49 4.5 27.2 1.0 N B:GLY49 4.5 25.3 1.0 C23 B:3T1101 4.6 18.6 1.0

J.Brynda, P.Rezacova, G.K.Saskova, M.Kozisek, J.Konvalinka. Dimeric Inhibitor of Hiv-1 Protease. To Be Published.