Manganese in the structure of Crystal Structure Of A Hairpin Exchange Variant (LR1) of the Targeting Line-1 Retrotransposon Endonuclease (pdb 2v0s)

The binding sites of Manganese atom in the structure of Crystal Structure Of A Hairpin Exchange Variant (LR1) of the Targeting Line-1 Retrotransposon Endonuclease (pdb code 2v0s). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2v0s structure was solved by K.REPANAS, N.ZINGLER, L.E.LAYER, G.G.SCHUMANN, A.PERRAKIS, O.WEICHENRIEDER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 80.0-1.8 Space group C2221 a (A) 58.698 b (A) 67.648 c (A) 128.278 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.8 Rfree (%) 22.6 Manganese Binding Sites: Manganese binding site 1 out of 1 in 2v0s Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2v0s. 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: Asn14, A: Asn16, A: Glu43, A: Tyr115, A: Asp227, A: His228, A: Gol1240, A: Hoh2177, A: Hoh2178, conact list: Atom Atom Distance (A) Mn ND2 A:Asn14 4.27 Mn OD1 A:Asn14 4.64 Mn CG A:Asn14 4.88 Mn OD1 A:Asn16 4.22 Mn CG A:Asn16 4.86 Mn OE1 A:Glu43 3.06 Mn OE2 A:Glu43 2.30 Mn CD A:Glu43 3.03 Mn CG A:Glu43 4.49 Mn OH A:Tyr115 4.41 Mn OD2 A:Asp227 4.30 Mn OD1 A:Asp227 4.64 Mn CG A:Asp227 4.94 Mn NE2 A:His228 4.65 Mn O2 A:Gol1240 4.50 Mn C1 A:Gol1240 3.19 Mn O1 A:Gol1240 3.98 Mn C3 A:Gol1240 3.01 Mn O3 A:Gol1240 2.13 Mn C2 A:Gol1240 3.70 Mn O A:Hoh2177 2.08 Mn O A:Hoh2178 2.47 interactive model: