Bromine in the structure of Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex With Compound 8 (pdb 4f65)

The binding sites of Bromine atom in the structure of Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex With Compound 8 (pdb code 4f65). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 4f65 structure was solved by R.A.NORMAN, J.BREED, D.OGG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-2.3 Space group C121 a (A) 210.713 b (A) 50.365 c (A) 65.641 alpha (°) 90.00 beta (°) 106.67 gamma (°) 90.00 Rfactor (%) 20.3 Rfree (%) 23.5 Bromine Binding Sites: Bromine binding site 1 out of 2 in 4f65 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 4f65. 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: Leu484, A: Tyr563, A: Ala564, A: Ser565, A: Lys566, A: Gly567, A: 0s9808, A: Hoh997, conact list: Atom Atom Distance (A) Br CD1 A:Leu484 4.93 Br CD2 A:Leu484 4.09 Br CG A:Leu484 4.93 Br CZ A:Tyr563 4.83 Br CE1 A:Tyr563 4.22 Br OH A:Tyr563 4.57 Br O A:Ala564 3.24 Br C A:Ala564 4.27 Br O A:Ser565 3.38 Br N A:Ser565 4.62 Br C A:Ser565 3.70 Br CA A:Ser565 4.06 Br N A:Lys566 4.41 Br C A:Lys566 4.52 Br CA A:Lys566 4.88 Br N A:Gly567 3.56 Br CA A:Gly567 3.75 Br C9 A:0s9808 4.59 Br N10 A:0s9808 4.10 Br C12 A:0s9808 1.90 Br C11 A:0s9808 2.82 Br BR1 A:0s9808 0.00 Br C16 A:0s9808 4.49 Br N15 A:0s9808 3.16 Br N14 A:0s9808 4.17 Br C13 A:0s9808 2.92 Br O A:Hoh997 4.61 interactive model: Bromine binding site 2 out of 2 in 4f65 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 4f65. 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: Leu484, B: Tyr563, B: Ala564, B: Ser565, B: Lys566, B: Gly567, B: 0s9808, B: Hoh976, conact list: Atom Atom Distance (A) Br CD2 B:Leu484 4.17 Br CZ B:Tyr563 4.77 Br CE1 B:Tyr563 4.18 Br OH B:Tyr563 4.47 Br O B:Ala564 3.30 Br C B:Ala564 4.35 Br O B:Ser565 3.50 Br N B:Ser565 4.73 Br C B:Ser565 3.85 Br CA B:Ser565 4.17 Br N B:Lys566 4.58 Br C B:Lys566 4.68 Br N B:Gly567 3.69 Br CA B:Gly567 3.84 Br C9 B:0s9808 4.59 Br N10 B:0s9808 4.11 Br C12 B:0s9808 1.90 Br C11 B:0s9808 2.83 Br BR1 B:0s9808 0.00 Br C16 B:0s9808 4.49 Br N15 B:0s9808 3.16 Br N14 B:0s9808 4.15 Br C13 B:0s9808 2.91 Br O B:Hoh976 3.79 interactive model: