Bromine in PDB 3n6n: Crystal Structure of EV71 Rdrp in Complex with Br-Utp

The structure of Crystal Structure of EV71 Rdrp in Complex with Br-Utp, PDB code: 3n6n was solved by Y.Wu, Z.Y.Lou, Y.Miao, Y.Yu, Z.H.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.90
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.510, 103.510, 131.536, 90.00, 90.00, 120.00
R / Rfree (%)	23.3 / 27.3

The structure of Crystal Structure of EV71 Rdrp in Complex with Br-Utp also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Bromine atom in the Crystal Structure of EV71 Rdrp in Complex with Br-Utp (pdb code 3n6n). 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 EV71 Rdrp in Complex with Br-Utp, PDB code: 3n6n:

Bromine binding site 1 out of 1 in the Crystal Structure of EV71 Rdrp in Complex with Br-Utp


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 EV71 Rdrp in Complex with Br-Utp within 5.0Å range: probe atom residue distance (Å) B Occ A:Br464 b:0.3 occ:1.00 BR A:BUP464 0.0 0.3 1.0 C1 A:BUP464 1.6 0.3 1.0 O A:LEU175 2.3 80.5 1.0 C2 A:BUP464 2.7 0.3 1.0 C4 A:BUP464 2.7 0.3 1.0 O1 A:BUP464 3.0 0.3 1.0 OG A:SER289 3.1 95.8 1.0 CB A:SER289 3.3 95.6 1.0 C A:LEU175 3.4 80.5 1.0 N A:LEU175 3.8 81.2 1.0 N2 A:BUP464 4.0 0.5 1.0 N1 A:BUP464 4.0 0.3 1.0 CB A:ARG174 4.0 81.9 1.0 C A:SER289 4.1 96.0 1.0 N A:GLY290 4.2 96.5 1.0 CA A:LEU175 4.2 80.8 1.0 CA A:SER289 4.3 95.6 1.0 N A:ILE176 4.3 80.1 1.0 C A:ARG174 4.3 81.7 1.0 O A:SER289 4.5 96.0 1.0 CA A:GLY290 4.5 97.4 1.0 C3 A:BUP464 4.6 0.3 1.0 CA A:ILE176 4.6 79.9 1.0 CD A:ARG174 4.7 80.8 1.0 CA A:ARG174 4.7 82.1 1.0 CG A:ARG174 4.9 81.3 1.0 NE A:ARG174 4.9 80.4 1.0 CD A:LYS159 4.9 88.0 1.0 O A:ARG174 5.0 81.5 1.0

Y.Wu, Z.Lou, Y.Miao, Y.Yu, H.Dong, W.Peng, M.Bartlam, X.Li, Z.Rao. Structures of EV71 Rna-Dependent Rna Polymerase in Complex with Substrate and Analogue Provide A Drug Target Against the Hand-Foot-and-Mouth Disease Pandemic in China. Protein Cell V. 1 491 2010.
ISSN: ISSN 1674-800X
PubMed: 21203964
DOI: 10.1007/S13238-010-0061-7