Fluorine in the structure of Crystal Structure of Wild-Type Tryptophan Synthase Complexed With 5- Fluoroindole Propanol Phosphate (pdb 1a50)

The binding sites of Fluorine atom in the structure of Crystal Structure of Wild-Type Tryptophan Synthase Complexed With 5- Fluoroindole Propanol Phosphate (pdb code 1a50). This binding sites where shown with 5.0 Angstroms radius around Fluorine atom. The 1a50 structure was solved by T.R.SCHNEIDER, E.GERHARDT, M.LEE, P.-H.LIANG, K.S.ANDERSON, I.SCHLICHTING, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-2.3 Space group C121 a (A) 182.700 b (A) 60.700 c (A) 67.500 alpha (°) 90.00 beta (°) 94.50 gamma (°) 90.00 Rfactor (%) 17.7 Rfree (%) 24.7 Fluorine Binding Sites: Fluorine binding site 1 out of 1 in 1a50 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Fluorine in the PDB 1a50. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Fluorine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Leu100, A: Leu127, A: Ile153, A: Tyr175, A: Phe212, A: Fip270, B: Hoh1183, conact list: Atom Atom Distance (A) F CD2 A:Leu100 4.92 F CD1 A:Leu127 4.66 F CD1 A:Ile153 2.88 F CG1 A:Ile153 4.16 F CE2 A:Tyr175 4.93 F CD1 A:Tyr175 4.43 F CZ A:Tyr175 4.19 F CE1 A:Tyr175 3.90 F OH A:Tyr175 4.35 F CD1 A:Phe212 4.96 F CZ A:Phe212 4.11 F CE1 A:Phe212 3.97 F F A:Fip270 0.00 F C9 A:Fip270 3.62 F C8 A:Fip270 4.09 F C6 A:Fip270 2.38 F C5 A:Fip270 1.34 F C7 A:Fip270 3.64 F C4 A:Fip270 2.35 F C3 A:Fip270 4.95 F O B:Hoh1183 4.32 interactive model: