Bromine in the structure of Crystal Structure of P300 Histone Acetyltransferase Domain in Complex With A Bisubstrate Inhibitor, Lys-Coa (pdb 3biy)

The binding sites of Bromine atom in the structure of Crystal Structure of P300 Histone Acetyltransferase Domain in Complex With A Bisubstrate Inhibitor, Lys-Coa (pdb code 3biy). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 3biy structure was solved by X.LIU, L.WANG, K.ZHAO, P.R.THOMPSON, Y.HWANG, R.MARMORSTEIN, P.A.COLE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 26.6-1.7 Space group P43 a (A) 61.513 b (A) 61.513 c (A) 101.153 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.2 Rfree (%) 21.3 Bromine Binding Sites: Bromine binding site 1 out of 5 in 3biy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3biy. 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: Glu1423, A: Lys1426, A: Arg1478, A: Ile1479, A: Hoh1665, A: Hoh1675, A: Hoh1693, A: Hoh1842, A: Hoh1843, conact list: Atom Atom Distance (A) Br CG A:Glu1423 4.44 Br CE A:Lys1426 3.90 Br CD A:Lys1426 3.90 Br CG A:Lys1426 4.94 Br NZ A:Lys1426 3.58 Br O A:Arg1478 3.83 Br C A:Arg1478 4.49 Br O A:Ile1479 4.93 Br N A:Ile1479 4.55 Br CB A:Ile1479 4.31 Br CD1 A:Ile1479 4.95 Br CG2 A:Ile1479 4.58 Br C A:Ile1479 4.97 Br CG1 A:Ile1479 3.76 Br CA A:Ile1479 3.92 Br O A:Hoh1665 4.84 Br O A:Hoh1675 3.07 Br O A:Hoh1693 2.95 Br O A:Hoh1842 4.21 Br O A:Hoh1843 4.81 interactive model: Bromine binding site 2 out of 5 in 3biy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 3biy. 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: Asp1622, A: Leu1623, A: Ala1629, A: Gln1661, A: Hoh1706, A: Hoh1763, A: Hoh1835, conact list: Atom Atom Distance (A) Br O A:Asp1622 4.28 Br CB A:Asp1622 4.46 Br C A:Asp1622 4.12 Br CA A:Asp1622 4.93 Br N A:Leu1623 3.89 Br CB A:Leu1623 4.27 Br CD1 A:Leu1623 4.15 Br CG A:Leu1623 4.86 Br CA A:Leu1623 3.77 Br CB A:Ala1629 4.09 Br NE2 A:Gln1661 3.64 Br OE1 A:Gln1661 4.91 Br CD A:Gln1661 4.69 Br O A:Hoh1706 3.45 Br O A:Hoh1763 4.97 Br O A:Hoh1835 3.31 interactive model: Bromine binding site 3 out of 5 in 3biy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 3biy. 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: Hoh1676, conact list: Atom Atom Distance (A) Br O A:Hoh1676 3.37 interactive model: Bromine binding site 4 out of 5 in 3biy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 3biy. 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: Lys1407, A: Cys1408, A: 01k700, A: Hoh1679, A: Hoh1713, A: Hoh1790, A: Hoh1820, A: Hoh1829, conact list: Atom Atom Distance (A) Br O A:Lys1407 4.27 Br CB A:Lys1407 4.06 Br CE A:Lys1407 4.61 Br C A:Lys1407 4.14 Br CA A:Lys1407 4.81 Br N A:Cys1408 3.99 Br CB A:Cys1408 4.17 Br CA A:Cys1408 3.84 Br O46 A:01k700 4.81 Br O A:Hoh1679 4.91 Br O A:Hoh1713 3.15 Br O A:Hoh1790 4.65 Br O A:Hoh1820 4.59 Br O A:Hoh1829 2.96 interactive model: Bromine binding site 5 out of 5 in 3biy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Bromine in the PDB 3biy. 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: Pro1406, A: Lys1407, A: Hoh1679, A: Hoh1733, A: Hoh1829, A: Hoh1850, conact list: Atom Atom Distance (A) Br N A:Pro1406 4.98 Br CB A:Pro1406 3.76 Br C A:Pro1406 3.95 Br CA A:Pro1406 3.63 Br N A:Lys1407 3.24 Br CB A:Lys1407 3.99 Br CD A:Lys1407 4.52 Br CG A:Lys1407 4.18 Br CA A:Lys1407 4.23 Br O A:Hoh1679 3.07 Br O A:Hoh1733 4.71 Br O A:Hoh1829 4.97 Br O A:Hoh1850 2.59 interactive model: