Bromine 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:

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

The binding sites of Bromine 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 Bromine atom.
In total only one binding site of Bromine was determined in the Hiv-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor, PDB code: 4jlh:

Bromine 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 Bromine with other atoms in the Br 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:Br301 b:64.5 occ:1.00 BR A:0L9301 0.0 64.5 1.0 C1 A:0L9301 1.9 52.2 1.0 C2 A:0L9301 2.8 53.1 1.0 C6 A:0L9301 2.8 48.7 1.0 OG1 A:THR128 3.5 44.9 1.0 OG1 A:THR124 4.0 58.9 1.0 O A:THR124 4.0 50.1 1.0 C A:THR124 4.1 50.1 1.0 C3 A:0L9301 4.1 50.4 1.0 CB A:THR124 4.1 54.6 1.0 C5 A:0L9301 4.1 45.7 1.0 N A:THR125 4.3 48.7 1.0 CB A:THR128 4.3 43.8 1.0 O A:HOH407 4.4 67.3 1.0 CA A:THR125 4.4 47.3 1.0 C4 A:0L9301 4.6 45.1 1.0 CG2 A:THR128 4.6 45.0 1.0 CA A:THR124 4.8 52.7 1.0 OG1 A:THR125 5.0 51.1 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