Bromine in the structure of Complex Between the Extracellular Domain of Erythropoietin (Epo) Receptor [Ebp] and An Inactive Peptide [EMP33] Contains 3,5-Dibromotyrosine in Position 4 (Denoted Dby) (pdb 1eba)

The binding sites of Bromine atom in the structure of Complex Between the Extracellular Domain of Erythropoietin (Epo) Receptor [Ebp] and An Inactive Peptide [EMP33] Contains 3,5-Dibromotyrosine in Position 4 (Denoted Dby) (pdb code 1eba). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1eba structure was solved by O.LIVNAH, E.A.STURA, I.A.WILSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.7 Space group P22121 a (A) 58.890 b (A) 75.009 c (A) 130.527 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20 Rfree (%) 29.9 Bromine Binding Sites: Bromine binding site 1 out of 4 in 1eba Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1eba. 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: C: Thr3, C: Dby4, D: Phe8, D: Trp13, conact list: Atom Atom Distance (A) Br CB C:Thr3 4.95 Br CG2 C:Thr3 4.56 Br BR1 C:Dby4 0.00 Br CD1 C:Dby4 2.81 Br CD2 C:Dby4 4.59 Br CG C:Dby4 4.11 Br OH C:Dby4 2.94 Br CE2 C:Dby4 4.06 Br CZ C:Dby4 2.77 Br CE1 C:Dby4 1.84 Br N D:Phe8 4.68 Br CB D:Phe8 4.98 Br CE2 D:Phe8 3.43 Br CD1 D:Phe8 4.24 Br CD2 D:Phe8 3.66 Br CZ D:Phe8 3.64 Br CE1 D:Phe8 4.05 Br CG D:Phe8 4.08 Br CZ3 D:Trp13 4.97 interactive model: Bromine binding site 2 out of 4 in 1eba Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 1eba. 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: B: Ser91, B: Ser92, B: Phe93, B: Val94, C: Dby4, C: Cys15, C: Lys16, C: Pro17, conact list: Atom Atom Distance (A) Br O B:Ser91 4.82 Br CB B:Ser91 3.89 Br OG B:Ser91 4.51 Br C B:Ser91 4.01 Br CA B:Ser91 4.10 Br N B:Ser92 3.51 Br CB B:Ser92 4.43 Br C B:Ser92 4.35 Br CA B:Ser92 4.16 Br N B:Phe93 3.81 Br CB B:Phe93 4.61 Br CE2 B:Phe93 4.47 Br CD2 B:Phe93 3.76 Br CG B:Phe93 4.63 Br CA B:Phe93 4.68 Br N B:Val94 4.93 Br CG2 B:Val94 4.95 Br CD1 C:Dby4 4.57 Br CD2 C:Dby4 2.78 Br CG C:Dby4 4.08 Br OH C:Dby4 3.02 Br CE2 C:Dby4 1.83 Br CZ C:Dby4 2.78 Br CE1 C:Dby4 4.05 Br BR2 C:Dby4 0.00 Br O C:Cys15 4.39 Br C C:Lys16 4.74 Br N C:Pro17 4.23 Br CB C:Pro17 4.00 Br CD C:Pro17 3.83 Br CG C:Pro17 3.04 Br CA C:Pro17 4.30 interactive model: Bromine binding site 3 out of 4 in 1eba Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 1eba. 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: Ser92, A: Phe93, C: Phe8, C: Trp13, D: Thr3, D: Dby4, conact list: Atom Atom Distance (A) Br N A:Ser92 4.77 Br CB A:Ser92 4.53 Br OG A:Ser92 4.97 Br CE2 A:Phe93 4.36 Br CD2 A:Phe93 4.50 Br CE2 C:Phe8 4.19 Br CD1 C:Phe8 4.65 Br CD2 C:Phe8 4.50 Br CZ C:Phe8 4.09 Br CE1 C:Phe8 4.34 Br CG C:Phe8 4.74 Br CZ3 C:Trp13 4.90 Br N D:Thr3 4.66 Br CA D:Thr3 4.98 Br BR1 D:Dby4 0.00 Br CD1 D:Dby4 2.78 Br CD2 D:Dby4 4.58 Br CG D:Dby4 4.08 Br OH D:Dby4 3.00 Br CE2 D:Dby4 4.07 Br CZ D:Dby4 2.78 Br CE1 D:Dby4 1.82 interactive model: Bromine binding site 4 out of 4 in 1eba Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 1eba. 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: Phe93, A: Val94, D: Dby4, D: Pro17, D: Gln18, conact list: Atom Atom Distance (A) Br N A:Phe93 4.28 Br CB A:Phe93 3.92 Br CD2 A:Phe93 4.54 Br C A:Phe93 4.61 Br CG A:Phe93 4.74 Br CA A:Phe93 4.45 Br N A:Val94 4.60 Br CG1 A:Val94 3.79 Br CD1 D:Dby4 4.60 Br CD2 D:Dby4 2.80 Br CG D:Dby4 4.11 Br OH D:Dby4 3.03 Br CE2 D:Dby4 1.84 Br CZ D:Dby4 2.80 Br CE1 D:Dby4 4.09 Br BR2 D:Dby4 0.00 Br N D:Pro17 4.56 Br CB D:Pro17 3.26 Br CD D:Pro17 4.86 Br C D:Pro17 4.70 Br CG D:Pro17 4.57 Br CA D:Pro17 3.62 Br N D:Gln18 4.98 interactive model: