Bromine in PDB 3vvp: Crystal Structure of Mate in Complex with Br-Nrf

The structure of Crystal Structure of Mate in Complex with Br-Nrf, PDB code: 3vvp was solved by Y.Tanaka, R.Ishitani, O.Nureki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.95 / 2.91
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	122.368, 122.368, 110.384, 90.00, 90.00, 120.00
R / Rfree (%)	28.5 / 32.6

The binding sites of Bromine atom in the Crystal Structure of Mate in Complex with Br-Nrf (pdb code 3vvp). 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 Crystal Structure of Mate in Complex with Br-Nrf, PDB code: 3vvp:

Bromine binding site 1 out of 1 in the Crystal Structure of Mate in Complex with Br-Nrf


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Mate in Complex with Br-Nrf within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1001 b:0.6 occ:1.00 BR A:BNU1001 0.0 0.6 1.0 CAP A:BNU1001 1.9 0.9 1.0 CAF A:BNU1001 2.7 0.1 1.0 CAR A:BNU1001 2.9 0.6 1.0 CAL A:BNU1001 3.3 0.3 1.0 NAV A:BNU1001 3.4 0.3 1.0 OE1 A:GLN34 3.4 54.3 1.0 CD A:GLN34 3.8 52.4 1.0 CB A:MET173 4.0 35.3 1.0 CAT A:BNU1001 4.1 0.3 1.0 CAG A:BNU1001 4.2 0.7 1.0 CAJ A:BNU1001 4.2 0.5 1.0 CG A:GLN34 4.4 49.5 1.0 ND2 A:ASN157 4.4 47.1 1.0 NE2 A:GLN34 4.4 52.8 1.0 SD A:MET173 4.5 35.6 1.0 CAU A:BNU1001 4.6 0.0 1.0 CG A:MET173 4.8 34.7 1.0 CA A:MET173 4.9 36.5 1.0 CAM A:BNU1001 4.9 0.5 1.0

Y.Tanaka, C.J.Hipolito, A.D.Maturana, K.Ito, T.Kuroda, T.Higuchi, T.Katoh, H.E.Kato, M.Hattori, K.Kumazaki, T.Tsukazaki, R.Ishitani, H.Suga, O.Nureki. Structural Basis For the Drug Extrusion Mechanism By A Mate Multidrug Transporter. Nature V. 496 247 2013.
ISSN: ISSN 0028-0836
PubMed: 23535598
DOI: 10.1038/NATURE12014