Bromine in PDB 2fcx: Hiv-1 Dis Kissing-Loop in Complex with Neamine

The structure of Hiv-1 Dis Kissing-Loop in Complex with Neamine, PDB code: 2fcx was solved by E.Ennifar, J.C.Paillart, R.Marquet, P.Dumas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.42 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	27.005, 113.395, 95.038, 90.00, 90.00, 90.00
R / Rfree (%)	26.7 / 29.2

The structure of Hiv-1 Dis Kissing-Loop in Complex with Neamine also contains other interesting chemical elements:

Potassium	(K)	3 atoms
Chlorine	(Cl)	1 atom

The binding sites of Bromine atom in the Hiv-1 Dis Kissing-Loop in Complex with Neamine (pdb code 2fcx). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Hiv-1 Dis Kissing-Loop in Complex with Neamine, PDB code: 2fcx:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Hiv-1 Dis Kissing-Loop in Complex with Neamine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Hiv-1 Dis Kissing-Loop in Complex with Neamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3 b:25.8 occ:0.32 BR A:5BU3 0.0 25.8 0.3 C5 A:5BU3 1.9 28.4 1.0 C6 A:5BU3 2.8 28.9 1.0 C4 A:5BU3 2.9 30.4 1.0 O4 A:5BU3 3.1 29.0 1.0 C5 A:U2 3.6 36.8 1.0 C6 A:U2 3.7 35.3 1.0 OP2 A:5BU3 3.8 36.7 1.0 K A:K24 3.8 53.3 0.9 C4 A:U2 4.0 37.5 1.0 N1 A:5BU3 4.1 31.4 1.0 N3 A:5BU3 4.1 26.7 1.0 N1 A:U2 4.1 37.5 1.0 C3' A:U2 4.3 37.5 1.0 N3 A:U2 4.3 36.3 1.0 C2 A:U2 4.4 37.2 1.0 O5' A:5BU3 4.5 35.7 1.0 O5' A:U2 4.5 42.3 1.0 O4 A:U2 4.5 35.4 1.0 P A:5BU3 4.6 38.2 1.0 C2 A:5BU3 4.7 31.6 1.0 C2' A:U2 4.7 37.6 1.0 OP2 A:U2 4.8 42.5 1.0 C1' A:U2 5.0 38.2 1.0 O3' A:U2 5.0 37.2 1.0

Bromine binding site 2 out of 2 in the Hiv-1 Dis Kissing-Loop in Complex with Neamine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Hiv-1 Dis Kissing-Loop in Complex with Neamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Br3 b:44.1 occ:0.36 BR B:5BU3 0.0 44.1 0.4 C5 B:5BU3 1.9 49.8 1.0 C6 B:5BU3 2.8 48.0 1.0 C4 B:5BU3 2.8 47.9 1.0 O4 B:5BU3 3.1 51.1 1.0 O B:HOH216 3.2 52.1 1.0 OP2 B:5BU3 3.4 56.5 1.0 C5 B:U2 3.5 38.8 1.0 C6 B:U2 3.6 41.3 1.0 C4 B:U2 3.7 40.5 1.0 N1 B:U2 3.9 43.8 1.0 N3 B:U2 3.9 42.6 1.0 K B:K24 4.1 64.8 0.8 C2 B:U2 4.1 44.0 1.0 N3 B:5BU3 4.1 48.8 1.0 N1 B:5BU3 4.1 50.1 1.0 C3' B:U2 4.1 49.1 1.0 O4 B:U2 4.2 40.3 1.0 C2' B:U2 4.3 47.7 1.0 O5' B:5BU3 4.3 52.8 1.0 P B:5BU3 4.4 54.7 1.0 C1' B:U2 4.7 46.8 1.0 C2 B:5BU3 4.7 49.0 1.0 O3' B:U2 4.8 51.4 1.0 O2 B:U2 4.9 45.9 1.0 O B:HOH217 5.0 62.6 1.0

E.Ennifar, J.C.Paillart, A.Bodlenner, P.Walter, J.-M.Weibel, A.-M.Aubertin, P.Pale, P.Dumas, R.Marquet. Targeting the Dimerization Initiation Site of Hiv-1 Rna with Aminoglycosides: From Crystal to Cell. Nucleic Acids Res. V. 34 2328 2006.
ISSN: ISSN 0305-1048
PubMed: 16679451
DOI: 10.1093/NAR/GKL317