Bromine in the structure of Crystal Structure of Human Type-I N-Myristoyltransferase With Bound Myristoyl-Coa and Inhibitor DDD90055 (pdb 3jtk)

The binding sites of Bromine atom in the structure of Crystal Structure of Human Type-I N-Myristoyltransferase With Bound Myristoyl-Coa and Inhibitor DDD90055 (pdb code 3jtk). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 3jtk structure was solved by W.QIU, A.HUTCHINSON, A.WERNIMONT, Y.-H.LIN, A.KANIA, M.RAVICHANDRAN, I.KOZIERADZKI, D.COSSAR, M.SCHAPIRA, C.H.ARROWSMITH, C.BOUNTRA, J.WEIGELT, A.M.EDWARDS, P.G.WYATT, M.A.J.FERGUSON, J.A.FREARSON, S.Y.BRAND, D.A.ROBINSON, A.BOCHKAREV, R.HUI, STRUCTURAL GENOMICSCONSORTIUM (SGC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.8-1.6 Space group P22121 a (A) 58.247 b (A) 79.023 c (A) 178.381 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.8 Rfree (%) 22.1 Bromine Binding Sites: Bromine binding site 1 out of 1 in 3jtk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3jtk. 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: Phe190, A: Tyr296, A: His298, A: Tyr420, A: X551002, conact list: Atom Atom Distance (A) Br CE2 A:Phe190 4.43 Br CZ A:Phe190 4.08 Br CB A:Tyr296 4.70 Br CE2 A:Tyr296 3.69 Br CD1 A:Tyr296 4.41 Br CD2 A:Tyr296 3.62 Br CZ A:Tyr296 4.13 Br CE1 A:Tyr296 4.47 Br CG A:Tyr296 4.01 Br OH A:Tyr296 4.83 Br CE1 A:His298 4.76 Br CZ A:Tyr420 4.53 Br CE1 A:Tyr420 4.17 Br OH A:Tyr420 3.85 Br SAO A:X551002 4.70 Br CAR A:X551002 4.17 Br BRAD A:X551002 0.00 Br CAT A:X551002 4.71 Br CAJ A:X551002 2.85 Br CAI A:X551002 4.42 Br CAU A:X551002 2.89 Br CAS A:X551002 1.90 Br CAV A:X551002 3.17 Br CAK A:X551002 4.20 Br CAQ A:X551002 4.60 Br NAW A:X551002 4.01 Br CAM A:X551002 3.95 interactive model: