Bromine in the structure of X-Ray Structure of Bace-1 in Complex With Compound 6G (pdb 2ze1)

The binding sites of Bromine atom in the structure of X-Ray Structure of Bace-1 in Complex With Compound 6G (pdb code 2ze1). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 2ze1 structure was solved by R.CHOPRA, A.OLLAND, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.2 Space group C121 a (A) 73.026 b (A) 104.321 c (A) 50.465 alpha (°) 90.00 beta (°) 94.57 gamma (°) 90.00 Rfactor (%) 24.8 Rfree (%) 29 Bromine Binding Sites: Bromine binding site 1 out of 1 in 2ze1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 2ze1. 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: Gly75, A: Tyr76, A: Ser291, A: Gly292, A: Thr293, A: Thr294, A: Ala397, A: 4111, conact list: Atom Atom Distance (A) Br N A:Gly75 4.15 Br C A:Gly75 4.66 Br CA A:Gly75 3.63 Br N A:Tyr76 4.67 Br CD1 A:Tyr76 4.75 Br O A:Ser291 3.27 Br C A:Ser291 4.36 Br O A:Gly292 4.37 Br N A:Gly292 4.83 Br C A:Gly292 4.05 Br CA A:Gly292 4.37 Br O A:Thr293 3.87 Br N A:Thr293 4.08 Br C A:Thr293 3.81 Br CA A:Thr293 4.42 Br N A:Thr294 3.89 Br CB A:Thr294 4.71 Br OG1 A:Thr294 4.19 Br CA A:Thr294 4.13 Br CB A:Ala397 3.97 Br C24 A:4111 2.85 Br C25 A:4111 1.89 Br C22 A:4111 4.67 Br BR A:4111 0.00 Br C23 A:4111 4.16 Br C26 A:4111 2.83 Br C21 A:4111 4.14 interactive model: