Manganese in the structure of Crystal Structure of the Pfv S217Q Mutant Intasome in Complex With Manganese (pdb 3oyi)

The binding sites of Manganese atom in the structure of Crystal Structure of the Pfv S217Q Mutant Intasome in Complex With Manganese (pdb code 3oyi). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3oyi structure was solved by S.HARE, P.CHEREPANOV, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 39.0-2.7 Space group P41212 a (A) 160.580 b (A) 160.580 c (A) 123.460 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.1 Rfree (%) 24.3 Manganese Binding Sites: Manganese binding site 1 out of 2 in 3oyi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3oyi. 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: Asp128, A: Tyr129, A: Gln217, A: Glu221, A: Asn224, D: Dc16, D: Da17, A: Hoh397, A: Hoh499, A: Hoh514, D: Hoh26, conact list: Atom Atom Distance (A) Mn CB A:Asp128 4.50 Mn OD2 A:Asp128 2.18 Mn OD1 A:Asp128 3.49 Mn CG A:Asp128 3.17 Mn O A:Tyr129 3.97 Mn OE1 A:Gln217 4.65 Mn OE1 A:Glu221 2.42 Mn OE2 A:Glu221 2.17 Mn CD A:Glu221 2.62 Mn CG A:Glu221 4.14 Mn ND2 A:Asn224 3.87 Mn O3' D:Dc16 4.87 Mn OP1 D:Da17 4.60 Mn C3' D:Da17 3.39 Mn C1' D:Da17 4.47 Mn O3' D:Da17 2.16 Mn O4' D:Da17 4.76 Mn C5' D:Da17 4.61 Mn C2' D:Da17 4.01 Mn C4' D:Da17 3.72 Mn O A:Hoh397 2.37 Mn O A:Hoh499 4.57 Mn O A:Hoh514 2.68 Mn O D:Hoh26 4.51 interactive model: Manganese binding site 2 out of 2 in 3oyi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 3oyi. 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: Asp128, B: Tyr129, B: Asp185, B: Phe190, B: Hoh395, B: Hoh396, B: Hoh405, B: Hoh408, B: Hoh409, B: Hoh424, conact list: Atom Atom Distance (A) Mn CB B:Asp128 4.40 Mn OD2 B:Asp128 3.10 Mn OD1 B:Asp128 2.21 Mn CG B:Asp128 3.00 Mn CA B:Asp128 4.82 Mn O B:Tyr129 4.54 Mn N B:Tyr129 4.42 Mn CB B:Asp185 4.41 Mn OD2 B:Asp185 3.28 Mn OD1 B:Asp185 2.08 Mn CG B:Asp185 3.03 Mn CE2 B:Phe190 4.92 Mn O B:Hoh395 2.13 Mn O B:Hoh396 1.98 Mn O B:Hoh405 4.16 Mn O B:Hoh408 4.90 Mn O B:Hoh409 4.37 Mn O B:Hoh424 3.02 interactive model: