Bromine in the structure of Human Mir-Receptor, Repeat 11 (pdb 1gqb)

The binding sites of Bromine atom in the structure of Human Mir-Receptor, Repeat 11 (pdb code 1gqb). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1gqb structure was solved by R.VON BUELOW, M.DAUTER, Z.DAUTER, K.R.RAJASHANKAR, S.GRIMME, B.SCHMIDT, K.VON FIGURA, I.USON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-1.8 Space group C121 a (A) 102.426 b (A) 49.060 c (A) 74.380 alpha (°) 90.00 beta (°) 129.01 gamma (°) 90.00 Rfactor (%) 20.84 Rfree (%) 25.29 Bromine Binding Sites: Bromine binding site 1 out of 10 in 1gqb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1gqb. 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: Cys46, A: Gly47, A: Glu48, A: Ala70, A: Asn71, A: Lys72, A: Hoh2046, A: Hoh2047, conact list: Atom Atom Distance (A) Br O A:Cys46 3.98 Br C A:Cys46 4.29 Br N A:Gly47 4.22 Br C A:Gly47 4.74 Br CA A:Gly47 3.84 Br N A:Glu48 4.90 Br O A:Ala70 3.96 Br C A:Ala70 3.97 Br CB A:Ala70 4.21 Br CA A:Ala70 4.78 Br O A:Asn71 4.55 Br N A:Asn71 3.89 Br CB A:Asn71 5.00 Br C A:Asn71 4.12 Br CA A:Asn71 3.73 Br N A:Lys72 4.53 Br CE A:Lys72 4.36 Br CD A:Lys72 4.78 Br CG A:Lys72 4.10 Br NZ A:Lys72 4.99 Br O A:Hoh2046 4.56 Br O A:Hoh2047 4.90 interactive model: Bromine binding site 2 out of 10 in 1gqb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 1gqb. 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: Ile120, A: Ser132, A: His134, conact list: Atom Atom Distance (A) Br CD1 A:Ile120 4.80 Br CG2 A:Ile120 3.97 Br CB A:Ser132 3.68 Br OG A:Ser132 3.04 Br NE2 A:His134 3.38 Br CD2 A:His134 4.32 Br CE1 A:His134 4.29 interactive model: Bromine binding site 3 out of 10 in 1gqb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 1gqb. 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: Tyr35, A: Gly39, A: Leu40, A: Phe60, A: Gly61, A: Gln62, A: Hoh2039, conact list: Atom Atom Distance (A) Br CE2 A:Tyr35 4.08 Br CD2 A:Tyr35 3.69 Br CG A:Tyr35 4.82 Br C A:Gly39 4.41 Br CA A:Gly39 4.02 Br O A:Leu40 3.35 Br N A:Leu40 3.83 Br C A:Leu40 4.36 Br CA A:Leu40 4.74 Br CB A:Phe60 3.99 Br CD1 A:Phe60 4.36 Br C A:Phe60 4.16 Br CG A:Phe60 4.60 Br CA A:Phe60 4.31 Br N A:Gly61 3.57 Br C A:Gly61 4.15 Br CA A:Gly61 4.08 Br N A:Gln62 3.25 Br CB A:Gln62 3.38 Br CG A:Gln62 4.52 Br CA A:Gln62 3.97 Br O A:Hoh2039 4.57 interactive model: Bromine binding site 4 out of 10 in 1gqb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 1gqb. 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: Lys86, A: Asp87, A: Gly88, A: Ser98, A: Tyr99, A: Lys100, A: Hoh2058, conact list: Atom Atom Distance (A) Br CB A:Lys86 3.83 Br C A:Lys86 4.10 Br CG A:Lys86 4.79 Br CA A:Lys86 4.22 Br N A:Asp87 3.06 Br CB A:Asp87 4.71 Br C A:Asp87 4.76 Br OD1 A:Asp87 3.72 Br CG A:Asp87 4.47 Br CA A:Asp87 3.69 Br N A:Gly88 4.70 Br O A:Ser98 4.67 Br CB A:Ser98 3.94 Br OG A:Ser98 4.68 Br C A:Ser98 4.94 Br CA A:Ser98 4.96 Br O A:Tyr99 4.60 Br CB A:Lys100 4.63 Br CE A:Lys100 3.17 Br CD A:Lys100 3.95 Br CG A:Lys100 4.92 Br NZ A:Lys100 4.26 Br O A:Hoh2058 3.49 interactive model: Bromine binding site 5 out of 10 in 1gqb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Bromine in the PDB 1gqb. 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: Cys46, B: Gly47, B: Glu48, B: Ala70, B: Asn71, B: Lys72, B: Hoh2028, B: Hoh2047, conact list: Atom Atom Distance (A) Br O B:Cys46 4.18 Br C B:Cys46 4.56 Br N B:Gly47 4.52 Br C B:Gly47 4.83 Br CA B:Gly47 4.04 Br N B:Glu48 4.89 Br O B:Ala70 4.01 Br C B:Ala70 4.06 Br CB B:Ala70 4.20 Br CA B:Ala70 4.82 Br O B:Asn71 4.72 Br N B:Asn71 4.08 Br C B:Asn71 4.27 Br CA B:Asn71 3.88 Br N B:Lys72 4.65 Br CE B:Lys72 3.84 Br CD B:Lys72 4.55 Br CG B:Lys72 3.98 Br NZ B:Lys72 3.48 Br O B:Hoh2028 3.37 Br O B:Hoh2047 4.95 interactive model: Bromine binding site 6 out of 10 in 1gqb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Bromine in the PDB 1gqb. 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: Tyr35, B: Gly39, B: Leu40, B: Phe60, B: Gly61, B: Gln62, B: Hoh2002, B: Hoh2040, conact list: Atom Atom Distance (A) Br CE2 B:Tyr35 3.98 Br CD2 B:Tyr35 3.69 Br CG B:Tyr35 4.86 Br C B:Gly39 4.58 Br CA B:Gly39 4.04 Br O B:Leu40 3.58 Br N B:Leu40 3.94 Br C B:Leu40 4.58 Br CA B:Leu40 4.92 Br CB B:Phe60 4.03 Br CD1 B:Phe60 4.34 Br C B:Phe60 4.24 Br CG B:Phe60 4.64 Br CA B:Phe60 4.38 Br N B:Gly61 3.58 Br C B:Gly61 4.24 Br CA B:Gly61 4.15 Br NE2 B:Gln62 4.99 Br N B:Gln62 3.37 Br CB B:Gln62 3.65 Br CD B:Gln62 4.83 Br CG B:Gln62 4.65 Br CA B:Gln62 4.15 Br O B:Hoh2002 3.75 Br O B:Hoh2040 4.64 interactive model: Bromine binding site 7 out of 10 in 1gqb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Bromine in the PDB 1gqb. 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: Met118, B: Ile120, B: Ser132, B: His134, B: Hoh2074, conact list: Atom Atom Distance (A) Br CE B:Met118 4.92 Br CD1 B:Ile120 4.83 Br CG2 B:Ile120 4.13 Br CB B:Ser132 3.69 Br OG B:Ser132 3.12 Br NE2 B:His134 3.15 Br CD2 B:His134 4.04 Br CE1 B:His134 4.11 Br O B:Hoh2074 4.03 interactive model: Bromine binding site 8 out of 10 in 1gqb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Bromine in the PDB 1gqb. 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: Pro53, B: Arg64, B: Ile65, B: Ser66, B: Ser89, B: Hoh2018, conact list: Atom Atom Distance (A) Br CG B:Pro53 4.40 Br O B:Arg64 4.54 Br N B:Ile65 4.97 Br CB B:Ile65 4.55 Br CG2 B:Ile65 4.36 Br C B:Ile65 4.10 Br CG1 B:Ile65 4.80 Br CA B:Ile65 3.91 Br N B:Ser66 3.25 Br CB B:Ser66 3.64 Br OG B:Ser66 4.96 Br CA B:Ser66 4.09 Br CB B:Ser89 4.17 Br OG B:Ser89 4.95 Br O B:Hoh2018 3.67 interactive model: Bromine binding site 9 out of 10 in 1gqb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 9 of Bromine in the PDB 1gqb. 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: Ile120, B: Ser121, B: Leu122, B: Lys124, B: Hoh2003, B: Hoh2026, conact list: Atom Atom Distance (A) Br O B:Ile120 4.66 Br N B:Ser121 4.92 Br CB B:Ser121 4.78 Br OG B:Ser121 4.32 Br C B:Ser121 4.08 Br CA B:Ser121 3.95 Br O B:Leu122 3.89 Br N B:Leu122 3.23 Br CB B:Leu122 4.22 Br C B:Leu122 4.35 Br CA B:Leu122 4.11 Br NZ B:Lys124 3.87 Br O B:Hoh2003 3.35 Br O B:Hoh2026 4.94 interactive model: Bromine binding site 10 out of 10 in 1gqb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 10 of Bromine in the PDB 1gqb. 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: Leu25, B: Asn115, B: Trp133, B: Thr135, B: Pro136, B: Leu137, B: Hoh2062, conact list: Atom Atom Distance (A) Br CD2 B:Leu25 4.39 Br O B:Asn115 4.94 Br CB B:Asn115 4.82 Br CD1 B:Trp133 4.61 Br CZ2 B:Trp133 4.70 Br CE2 B:Trp133 4.50 Br NE1 B:Trp133 3.76 Br CB B:Thr135 3.56 Br CG2 B:Thr135 4.93 Br OG1 B:Thr135 2.98 Br C B:Thr135 4.93 Br CA B:Thr135 4.17 Br N B:Pro136 4.77 Br CD B:Pro136 4.03 Br CD1 B:Leu137 4.54 Br CG B:Leu137 4.91 Br O B:Hoh2062 2.19 interactive model: