Manganese in the structure of Crystal Structure of the Pfv S217H Mutant Intasome Bound to Manganese (pdb 3oyk)

The binding sites of Manganese atom in the structure of Crystal Structure of the Pfv S217H Mutant Intasome Bound to Manganese (pdb code 3oyk). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3oyk structure was solved by S.HARE, P.CHEREPANOV, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 39.1-2.7 Space group P41212 a (A) 159.790 b (A) 159.790 c (A) 123.870 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.2 Rfree (%) 23.3 Manganese Binding Sites: Manganese binding site 1 out of 2 in 3oyk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3oyk. 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: His217, A: Glu221, A: Asn224, D: Da17, A: Hoh514, A: Hoh527, A: Hoh530, D: Hoh26, D: Hoh27, conact list: Atom Atom Distance (A) Mn CB A:Asp128 4.52 Mn OD2 A:Asp128 2.20 Mn OD1 A:Asp128 3.57 Mn CG A:Asp128 3.21 Mn O A:Tyr129 4.17 Mn NE2 A:His217 4.69 Mn CD2 A:His217 4.99 Mn OE1 A:Glu221 2.50 Mn OE2 A:Glu221 2.09 Mn CD A:Glu221 2.63 Mn CG A:Glu221 4.14 Mn ND2 A:Asn224 3.92 Mn OP1 D:Da17 4.55 Mn C3' D:Da17 3.31 Mn C1' D:Da17 4.26 Mn O3' D:Da17 2.28 Mn O4' D:Da17 4.58 Mn C5' D:Da17 4.61 Mn C2' D:Da17 3.69 Mn C4' D:Da17 3.58 Mn O A:Hoh514 4.68 Mn O A:Hoh527 2.63 Mn O A:Hoh530 3.88 Mn O D:Hoh26 2.07 Mn O D:Hoh27 4.30 interactive model: Manganese binding site 2 out of 2 in 3oyk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 3oyk. 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: Hoh409, B: Hoh415, B: Hoh434, conact list: Atom Atom Distance (A) Mn CB B:Asp128 4.55 Mn OD2 B:Asp128 3.22 Mn OD1 B:Asp128 2.37 Mn CG B:Asp128 3.14 Mn CA B:Asp128 4.96 Mn O B:Tyr129 4.60 Mn N B:Tyr129 4.53 Mn CB B:Asp185 4.34 Mn OD2 B:Asp185 3.26 Mn OD1 B:Asp185 2.01 Mn CG B:Asp185 2.98 Mn CE2 B:Phe190 4.97 Mn O B:Hoh395 2.14 Mn O B:Hoh396 1.84 Mn O B:Hoh409 4.09 Mn O B:Hoh415 4.78 Mn O B:Hoh434 2.63 interactive model: