Bromine in the structure of Structure of Camp-Dependent Protein Kinase, Alpha-Catalytic Subunit in Complex With H89 Protein Kinase Inhibitor N-[2- (4-Bromocinnamylamino)Ethyl]-5-Isoquinoline (pdb 1ydt)

The binding sites of Bromine atom in the structure of Structure of Camp-Dependent Protein Kinase, Alpha-Catalytic Subunit in Complex With H89 Protein Kinase Inhibitor N-[2- (4-Bromocinnamylamino)Ethyl]-5-Isoquinoline (pdb code 1ydt). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1ydt structure was solved by R.A.ENGH, A.GIROD, V.KINZEL, R.HUBER, D.BOSSEMEYER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 6.0-2.3 Space group P212121 a (A) 73.580 b (A) 76.280 c (A) 80.580 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.4 Rfree (%) n/a Bromine Binding Sites: Bromine binding site 1 out of 1 in 1ydt Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1ydt. 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: E: Gly52, E: Ser53, E: Phe54, E: Gly55, E: Arg56, E: Lys72, E: Ile73, E: Leu74, E: Iqb351, E: Hoh401, conact list: Atom Atom Distance (A) Br O E:Gly52 4.78 Br N E:Gly52 4.78 Br C E:Gly52 4.57 Br CA E:Gly52 4.41 Br N E:Ser53 4.95 Br O E:Phe54 4.68 Br N E:Phe54 4.31 Br CD1 E:Phe54 3.89 Br C E:Phe54 4.08 Br CE1 E:Phe54 4.07 Br CG E:Phe54 4.75 Br CA E:Phe54 4.67 Br O E:Gly55 3.86 Br N E:Gly55 3.52 Br C E:Gly55 3.80 Br CA E:Gly55 3.67 Br N E:Arg56 4.50 Br CE E:Lys72 4.06 Br CG E:Lys72 4.98 Br NZ E:Lys72 4.93 Br O E:Ile73 4.98 Br CD1 E:Leu74 3.88 Br C6B E:Iqb351 4.13 Br C3B E:Iqb351 2.84 Br C1' E:Iqb351 4.66 Br C2B E:Iqb351 4.15 Br BR4' E:Iqb351 0.00 Br C4' E:Iqb351 1.86 Br C5B E:Iqb351 2.82 Br O E:Hoh401 4.66 interactive model: