Manganese in the structure of Klenow Fragment With Bridging-Sulfur Substrate and Manganese (pdb 2kfn)

The binding sites of Manganese atom in the structure of Klenow Fragment With Bridging-Sulfur Substrate and Manganese (pdb code 2kfn). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2kfn structure was solved by C.A.BRAUTIGAM, S.SUN, J.A.PICCIRILLI, T.A.STEITZ, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.0 Space group P43 a (A) 102.900 b (A) 102.900 c (A) 86.400 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.4 Rfree (%) 25 Manganese Binding Sites: Manganese binding site 1 out of 1 in 2kfn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2kfn. 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: Us11006, B: Dg1007, A: Asp355, A: Thr356, A: Gln419, A: Asp424, A: Zn1, A: Hoh4, A: Hoh18, A: Hoh165, conact list: Atom Atom Distance (A) Mn S B:Us11006 2.61 Mn C3' B:Us11006 3.88 Mn C5' B:Us11006 4.26 Mn C2' B:Us11006 4.63 Mn C4' B:Us11006 3.82 Mn OP1 B:Dg1007 2.87 Mn P B:Dg1007 3.44 Mn OP2 B:Dg1007 4.55 Mn C5' B:Dg1007 4.41 Mn O5' B:Dg1007 4.37 Mn CB A:Asp355 4.61 Mn OD2 A:Asp355 3.72 Mn OD1 A:Asp355 2.36 Mn CG A:Asp355 3.35 Mn O A:Thr356 4.15 Mn N A:Thr356 4.73 Mn O A:Gln419 4.06 Mn OD2 A:Asp424 4.18 Mn OD1 A:Asp424 3.92 Mn CG A:Asp424 4.49 Mn ZN A:Zn1 3.85 Mn O A:Hoh4 2.24 Mn O A:Hoh18 4.14 Mn O A:Hoh165 4.42 interactive model: