Bromine in the structure of Factor XI Catalytic Domain Complexed With N-((R)-1-(4- Bromophenyl)Ethyl)Urea-Asn-Val-Arg-Alpha-Ketothiazole (pdb 1zpz)

The binding sites of Bromine atom in the structure of Factor XI Catalytic Domain Complexed With N-((R)-1-(4- Bromophenyl)Ethyl)Urea-Asn-Val-Arg-Alpha-Ketothiazole (pdb code 1zpz). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1zpz structure was solved by J.LIN, H.DENG, L.JIN, P.PRANDEY, M.J.RYNKIEWICZ, F.BIBBINS, S.CANTIN, J.QUINN, S.MAGEE, J.GORGA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 25.1-2.5 Space group P32 a (A) 41.937 b (A) 41.937 c (A) 103.872 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) n/a Rfree (%) n/a Bromine Binding Sites: Bromine binding site 1 out of 1 in 1zpz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1zpz. 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: Tyr143, A: Lys192, A: Buk900, conact list: Atom Atom Distance (A) Br OH A:Tyr143 4.72 Br CB A:Lys192 3.76 Br CE A:Lys192 4.74 Br CD A:Lys192 4.15 Br CG A:Lys192 3.73 Br C38 A:Buk900 2.87 Br C36 A:Buk900 4.73 Br C40 A:Buk900 2.85 Br C41 A:Buk900 4.18 Br S16 A:Buk900 4.12 Br C39 A:Buk900 1.87 Br BR A:Buk900 0.00 Br C15 A:Buk900 4.35 Br C37 A:Buk900 4.20 interactive model: