Bromine in the structure of Crystal Structure Of The Pdz Domain of the Sdrc-Like Protein (LMO2051) From Listeria Monocytogenes, Northeast Structural Genomics Consortium Target LMR166B (pdb 3i18)

The binding sites of Bromine atom in the structure of Crystal Structure Of The Pdz Domain of the Sdrc-Like Protein (LMO2051) From Listeria Monocytogenes, Northeast Structural Genomics Consortium Target LMR166B (pdb code 3i18). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 3i18 structure was solved by F.FOROUHAR, S.LEW, J.SEETHARAMAN, J.JANJUA, R.XIAO, C.CICCOSANTI, L.ZHAO, J.K.EVERETT, R.NAIR, T.B.ACTON, B.ROST, G.T.MONTELIONE, L.TONG, J.F.HUNT, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM(NESG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 17.9-1.7 Space group C2221 a (A) 35.705 b (A) 90.475 c (A) 51.811 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.3 Rfree (%) 22.6 Bromine Binding Sites: Bromine binding site 1 out of 1 in 3i18 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3i18. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Gly8, A: Val9, A: Tyr10, A: Ser41, A: Leu89, A: Val90, A: Asp91, A: Hoh159, A: Hoh207, conact list: Atom Atom Distance (A) Br O A:Gly8 4.55 Br CB A:Val9 4.04 Br CG2 A:Val9 3.32 Br C A:Val9 4.19 Br CA A:Val9 3.81 Br O A:Tyr10 4.23 Br N A:Tyr10 3.57 Br CB A:Tyr10 4.82 Br CD1 A:Tyr10 4.95 Br C A:Tyr10 4.87 Br CA A:Tyr10 4.61 Br CB A:Ser41 4.84 Br CB A:Leu89 4.21 Br C A:Leu89 4.67 Br CA A:Leu89 4.94 Br N A:Val90 3.99 Br CB A:Val90 4.24 Br C A:Val90 4.24 Br CA A:Val90 4.36 Br N A:Asp91 3.36 Br CB A:Asp91 3.50 Br OD1 A:Asp91 4.72 Br CG A:Asp91 4.56 Br CA A:Asp91 3.97 Br O A:Hoh159 3.23 Br O A:Hoh207 4.32 interactive model: