Bromine in the structure of SYRB2 With Fe(II), Bromide, and Alpha-Ketoglutarate (pdb 2fcv)

The binding sites of Bromine atom in the structure of SYRB2 With Fe(II), Bromide, and Alpha-Ketoglutarate (pdb code 2fcv). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 2fcv structure was solved by L.C.BLASIAK, C.L.DRENNAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 42.2-1.8 Space group P212121 a (A) 57.120 b (A) 89.350 c (A) 125.060 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.1 Rfree (%) 21 Bromine Binding Sites: Bromine binding site 1 out of 4 in 2fcv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 2fcv. 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: His116, A: Ala118, A: Phe121, A: Ser231, A: His235, A: Arg254, A: Fe2900, A: Akg897, A: Hoh915, A: Hoh946, A: Hoh1068, conact list: Atom Atom Distance (A) Br NE2 A:His116 3.56 Br CD2 A:His116 3.62 Br CE1 A:His116 4.81 Br CG A:His116 4.92 Br N A:Ala118 4.53 Br CB A:Ala118 3.88 Br CA A:Ala118 4.83 Br CE2 A:Phe121 4.81 Br CZ A:Phe121 3.91 Br CE1 A:Phe121 4.19 Br O A:Ser231 4.31 Br CB A:Ser231 3.99 Br C A:Ser231 4.88 Br CA A:Ser231 4.53 Br NE2 A:His235 3.53 Br ND1 A:His235 4.83 Br CD2 A:His235 4.89 Br CE1 A:His235 3.52 Br CZ A:Arg254 4.34 Br NH2 A:Arg254 3.84 Br NH1 A:Arg254 4.31 Br FE A:Fe2900 2.53 Br O5 A:Akg897 4.71 Br O2 A:Akg897 3.39 Br C1 A:Akg897 4.60 Br O A:Hoh915 3.08 Br O A:Hoh946 3.42 Br O A:Hoh1068 3.19 interactive model: Bromine binding site 2 out of 4 in 2fcv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 2fcv. 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: Ile161, A: Thr164, A: Asn169, A: Trp209, A: Pro211, A: Asp212, A: Met234, A: Hoh970, A: Hoh1009, A: Hoh1100, conact list: Atom Atom Distance (A) Br CB A:Ile161 4.78 Br CD1 A:Ile161 4.11 Br CG2 A:Ile161 4.41 Br CG1 A:Ile161 5.00 Br CB A:Thr164 4.93 Br CG2 A:Thr164 4.06 Br ND2 A:Asn169 4.28 Br CZ2 A:Trp209 3.86 Br CE2 A:Trp209 4.72 Br NE1 A:Trp209 4.84 Br CH2 A:Trp209 4.70 Br CB A:Pro211 4.87 Br C A:Pro211 4.29 Br CA A:Pro211 4.18 Br N A:Asp212 3.41 Br CB A:Asp212 3.90 Br CA A:Asp212 4.23 Br CB A:Met234 4.92 Br CE A:Met234 4.08 Br CG A:Met234 4.05 Br SD A:Met234 4.51 Br O A:Hoh970 4.83 Br O A:Hoh1009 3.54 Br O A:Hoh1100 3.36 interactive model: Bromine binding site 3 out of 4 in 2fcv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 2fcv. 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: His116, B: Ala118, B: Phe121, B: Ser231, B: His235, B: Arg254, B: Fe2899, B: Akg898, B: Hoh926, B: Hoh1009, conact list: Atom Atom Distance (A) Br NE2 B:His116 3.54 Br CD2 B:His116 3.61 Br CE1 B:His116 4.82 Br CG B:His116 4.93 Br N B:Ala118 4.58 Br CB B:Ala118 3.72 Br CA B:Ala118 4.76 Br CE2 B:Phe121 4.27 Br CZ B:Phe121 4.01 Br CE1 B:Phe121 4.95 Br O B:Ser231 4.36 Br CB B:Ser231 4.23 Br C B:Ser231 5.00 Br CA B:Ser231 4.73 Br NE2 B:His235 3.51 Br ND1 B:His235 4.93 Br CD2 B:His235 4.86 Br CE1 B:His235 3.61 Br CZ B:Arg254 4.38 Br NH2 B:Arg254 4.05 Br NH1 B:Arg254 4.27 Br FE B:Fe2899 2.52 Br O5 B:Akg898 4.68 Br O2 B:Akg898 3.45 Br C1 B:Akg898 4.66 Br O B:Hoh926 3.14 Br O B:Hoh1009 3.10 interactive model: Bromine binding site 4 out of 4 in 2fcv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 2fcv. 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: Ile161, B: Thr164, B: Asn169, B: Trp209, B: Pro211, B: Asp212, B: Met234, B: Hoh907, B: Hoh1012, B: Hoh1078, B: Hoh1095, conact list: Atom Atom Distance (A) Br CB B:Ile161 4.76 Br CD1 B:Ile161 4.03 Br CG2 B:Ile161 4.34 Br CG1 B:Ile161 5.00 Br CB B:Thr164 4.98 Br CG2 B:Thr164 4.03 Br ND2 B:Asn169 4.17 Br CZ2 B:Trp209 3.87 Br CE2 B:Trp209 4.78 Br NE1 B:Trp209 4.98 Br CH2 B:Trp209 4.62 Br CB B:Pro211 4.75 Br C B:Pro211 4.26 Br CA B:Pro211 4.10 Br N B:Asp212 3.43 Br CB B:Asp212 3.92 Br CA B:Asp212 4.27 Br CB B:Met234 4.92 Br CE B:Met234 4.05 Br CG B:Met234 4.10 Br SD B:Met234 4.56 Br O B:Hoh907 3.26 Br O B:Hoh1012 3.53 Br O B:Hoh1078 4.05 Br O B:Hoh1095 4.62 interactive model: