Manganese in the structure of Crystal Structure Analysis of Manganese Treated P19 Protein From Campylobacter Jejuni At 2.73 A At pH 9 and Manganese Peak Wavelength (1.893 A) (pdb 3lzr)

The binding sites of Manganese atom in the structure of Crystal Structure Analysis of Manganese Treated P19 Protein From Campylobacter Jejuni At 2.73 A At pH 9 and Manganese Peak Wavelength (1.893 A) (pdb code 3lzr). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3lzr structure was solved by T.I.DOUKOV, A.C.K.CHAN, M.SCOFIELD, A.B.RAMIN, S.A.L.TOM-YEW, M.E.P.MURPHY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.3-2.7 Space group P21212 a (A) 54.499 b (A) 73.797 c (A) 75.217 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.5 Rfree (%) 24.5 Manganese Binding Sites: Manganese binding site 1 out of 2 in 3lzr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3lzr. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu3, A: Val20, A: Glu44, A: Asp46, A: Asp92, conact list: Atom Atom Distance (A) Mn OE1 A:Glu3 3.32 Mn OE2 A:Glu3 2.67 Mn CD A:Glu3 3.28 Mn CG A:Glu3 4.62 Mn CG2 A:Val20 4.57 Mn OE1 A:Glu44 2.66 Mn OE2 A:Glu44 4.20 Mn CD A:Glu44 3.77 Mn OD2 A:Asp46 4.36 Mn OD1 A:Asp46 4.18 Mn CG A:Asp46 4.71 Mn CB A:Asp92 4.67 Mn OD2 A:Asp92 2.42 Mn OD1 A:Asp92 3.77 Mn CG A:Asp92 3.40 interactive model: Manganese binding site 2 out of 2 in 3lzr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 3lzr. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Glu3, B: Val20, B: Glu44, B: Asp46, B: Asp92, B: Hoh1007, conact list: Atom Atom Distance (A) Mn OE1 B:Glu3 4.05 Mn OE2 B:Glu3 3.30 Mn CD B:Glu3 3.99 Mn CG2 B:Val20 4.66 Mn OE1 B:Glu44 4.86 Mn OE2 B:Glu44 3.03 Mn CD B:Glu44 4.23 Mn OD2 B:Asp46 3.21 Mn OD1 B:Asp46 3.66 Mn CG B:Asp46 3.81 Mn OD2 B:Asp92 3.46 Mn OD1 B:Asp92 4.82 Mn CG B:Asp92 4.53 Mn O B:Hoh1007 3.31 interactive model: