Bromine in the structure of Crystal Structure Of Lactoperoxidase Complexed Simultaneously With Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through The Substrate Diffusion Channel Reveals A Preferential Queue of The Inorganic Substrates Towards the Distal Heme Cavity (pdb 3nyh)

The binding sites of Bromine atom in the structure of Crystal Structure Of Lactoperoxidase Complexed Simultaneously With Thiocyanate Ion, Iodide Ion, Bromide Ion, Chloride Ion Through The Substrate Diffusion Channel Reveals A Preferential Queue of The Inorganic Substrates Towards the Distal Heme Cavity (pdb code 3nyh). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 3nyh structure was solved by N.PANDEY, A.K.SINGH, M.SINHA, P.KAUR, S.SHARMA, T.P.SINGH, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 34.6-1.8 Space group P1211 a (A) 54.231 b (A) 79.837 c (A) 77.548 alpha (°) 90.00 beta (°) 102.67 gamma (°) 90.00 Rfactor (%) 18.8 Rfree (%) 23.6 Bromine Binding Sites: Bromine binding site 1 out of 1 in 3nyh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3nyh. 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: Gln105, A: His109, A: Arg255, A: Glu258, A: Hem605, A: Hoh790, A: Hoh1150, conact list: Atom Atom Distance (A) Br NE2 A:Gln105 4.57 Br NE2 A:His109 3.98 Br CE1 A:His109 3.93 Br CB A:Arg255 4.01 Br CD A:Arg255 3.67 Br CG A:Arg255 3.90 Br NE A:Arg255 4.94 Br OE1 A:Glu258 4.35 Br CB A:Glu258 4.11 Br OE2 A:Glu258 4.72 Br CD A:Glu258 4.09 Br CG A:Glu258 3.66 Br CHB A:Hem605 3.91 Br NA A:Hem605 3.79 Br CHA A:Hem605 4.79 Br C2A A:Hem605 4.00 Br C4A A:Hem605 3.60 Br C3A A:Hem605 3.71 Br CAA A:Hem605 4.87 Br C1B A:Hem605 4.54 Br NB A:Hem605 4.94 Br FE A:Hem605 5.00 Br C1A A:Hem605 4.05 Br CMA A:Hem605 4.34 Br O A:Hoh790 3.57 Br O A:Hoh1150 3.05 interactive model: