Bromine 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:

Arsenic	(As)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Bromine atom in the Hiv-1 Integrase Catalytical Core Domain (pdb code 4dmn). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Hiv-1 Integrase Catalytical Core Domain, PDB code: 4dmn:

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


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Hiv-1 Integrase Catalytical Core Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Br305 b:80.7 occ:1.00 BR A:0L9305 0.0 80.7 1.0 C1 A:0L9305 1.9 69.6 1.0 C6 A:0L9305 2.9 63.5 1.0 C2 A:0L9305 2.9 67.8 1.0 CG2 A:THR124 3.5 66.3 1.0 CB A:ALA128 3.7 52.0 1.0 C5 A:0L9305 4.2 59.3 1.0 C3 A:0L9305 4.3 63.7 1.0 O A:THR124 4.5 58.7 1.0 C4 A:0L9305 4.8 61.1 1.0 CB A:THR124 4.9 63.6 1.0 CA A:ALA128 5.0 51.5 1.0 C A:THR124 5.0 59.6 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