Chlorine in PDB 4jlh: Hiv-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor

The structure of Hiv-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor, PDB code: 4jlh was solved by L.Feng, M.Kvaratskhelia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.09
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.210, 72.210, 65.900, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 24.3

The structure of Hiv-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Arsenic	(As)	2 atoms

The binding sites of Chlorine atom in the Hiv-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor (pdb code 4jlh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Hiv-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor, PDB code: 4jlh:

Chlorine binding site 1 out of 1 in the Hiv-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hiv-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:45.7 occ:1.00 CL1 A:0L9301 0.0 45.7 1.0 C19 A:0L9301 1.7 43.2 1.0 C18 A:0L9301 2.7 40.0 1.0 C20 A:0L9301 2.7 41.2 1.0 CB A:TRP132 3.5 42.2 1.0 CG A:TRP132 3.8 42.1 1.0 C17 A:0L9301 4.0 41.5 1.0 C21 A:0L9301 4.0 42.9 1.0 O A:THR128 4.0 41.5 1.0 CA A:ALA129 4.1 39.3 1.0 CG2 A:THR128 4.2 45.0 1.0 CD1 A:TRP132 4.2 41.6 1.0 CD1 A:LEU102 4.3 40.5 1.0 C A:THR128 4.3 42.3 1.0 CD2 A:LEU102 4.4 37.2 1.0 N A:ALA129 4.4 40.3 1.0 CD2 A:TRP132 4.4 41.2 1.0 C10 A:0L9301 4.5 41.0 1.0 CG A:LEU102 4.9 39.6 1.0 CA A:TRP132 5.0 41.5 1.0 CB A:ALA129 5.0 37.2 1.0 CE3 A:TRP132 5.0 40.5 1.0

L.Feng, A.Sharma, A.Slaughter, N.Jena, Y.Koh, N.Shkriabai, R.C.Larue, P.A.Patel, H.Mitsuya, J.J.Kessl, A.Engelman, J.R.Fuchs, M.Kvaratskhelia. The A128T Resistance Mutation Reveals Aberrant Protein Multimerization As the Primary Mechanism of Action of Allosteric Hiv-1 Integrase Inhibitors. J.Biol.Chem. V. 288 15813 2013.
ISSN: ISSN 0021-9258
PubMed: 23615903
DOI: 10.1074/JBC.M112.443390