Chlorine in PDB 4dmn: Hiv-1 Integrase Catalytical Core Domain

The structure of Hiv-1 Integrase Catalytical Core Domain, PDB code: 4dmn 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)	28.44 / 2.45
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.082, 73.082, 64.808, 90.00, 90.00, 120.00
R / Rfree (%)	23.1 / 27.6

The structure of Hiv-1 Integrase Catalytical Core Domain 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 Catalytical Core Domain (pdb code 4dmn). 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 Catalytical Core Domain, PDB code: 4dmn:

Chlorine binding site 1 out of 1 in the Hiv-1 Integrase Catalytical Core Domain


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 Catalytical Core Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:57.9 occ:1.00 CL1 A:0L9305 0.0 57.9 1.0 C19 A:0L9305 1.8 51.4 1.0 C18 A:0L9305 2.7 51.7 1.0 C20 A:0L9305 2.8 53.6 1.0 CB A:TRP132 3.6 51.1 1.0 CG A:TRP132 3.6 49.3 1.0 CD2 A:TRP132 4.0 45.8 1.0 CD2 A:LEU102 4.1 39.1 1.0 C17 A:0L9305 4.1 52.1 1.0 C21 A:0L9305 4.1 53.9 1.0 CD1 A:LEU102 4.2 40.4 1.0 CD1 A:TRP132 4.2 47.5 1.0 CE3 A:TRP132 4.3 41.8 1.0 CA A:ALA129 4.4 49.3 1.0 O A:ALA128 4.4 50.4 1.0 CG A:LEU102 4.6 45.1 1.0 C10 A:0L9305 4.6 54.1 1.0 CE2 A:TRP132 4.7 46.1 1.0 N A:ALA129 4.7 49.1 1.0 C A:ALA128 4.7 50.5 1.0 NE1 A:TRP132 4.8 49.1 1.0

J.J.Kessl, N.Jena, Y.Koh, H.Taskent-Sezgin, A.Slaughter, L.Feng, S.De Silva, L.Wu, S.F.Le Grice, A.Engelman, J.R.Fuchs, M.Kvaratskhelia. Multimode, Cooperative Mechanism of Action of Allosteric Hiv-1 Integrase Inhibitors. J.Biol.Chem. V. 287 16801 2012.
ISSN: ISSN 0021-9258
PubMed: 22437836
DOI: 10.1074/JBC.M112.354373