Manganese in the structure of Structure and Function Of Cyclized Versions Of the Proofreading Exonuclease Subunit of E. Coli Dna Polymerase III (pdb 2gui)

The binding sites of Manganese atom in the structure of Structure and Function Of Cyclized Versions Of the Proofreading Exonuclease Subunit of E. Coli Dna Polymerase III (pdb code 2gui). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2gui structure was solved by A.Y.PARK, P.D.CARR, D.L.OLLIS, N.E.DIXON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 26.9-1.6 Space group P41212 a (A) 60.099 b (A) 60.099 c (A) 109.164 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 16 Rfree (%) 19.7 Manganese Binding Sites: Manganese binding site 1 out of 2 in 2gui Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2gui. 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: Asp12, A: Thr13, A: His98, A: Asp103, A: Asp167, A: Mn3001, A: U5p2000, A: U5p2100, A: Hoh5002, A: Hoh5003, A: Hoh5012, A: Hoh5016, A: Hoh5024, A: Hoh5100, conact list: Atom Atom Distance (A) Mn CB A:Asp12 4.38 Mn OD2 A:Asp12 3.51 Mn OD1 A:Asp12 2.04 Mn CG A:Asp12 3.09 Mn CA A:Asp12 4.79 Mn O A:Thr13 4.07 Mn N A:Thr13 4.59 Mn O A:His98 4.35 Mn OD2 A:Asp103 4.10 Mn OD1 A:Asp103 4.18 Mn CG A:Asp103 4.56 Mn OD2 A:Asp167 4.80 Mn MN A:Mn3001 3.66 Mn P A:U5p2000 2.86 Mn O3P A:U5p2000 2.42 Mn C5' A:U5p2000 3.98 Mn O1P A:U5p2000 2.23 Mn O5' A:U5p2000 3.97 Mn O2P A:U5p2000 4.05 Mn O4' A:U5p2100 4.38 Mn C5' A:U5p2100 4.64 Mn C4' A:U5p2100 4.30 Mn O5' A:U5p2100 4.77 Mn O2P A:U5p2100 4.46 Mn O A:Hoh5002 2.18 Mn O A:Hoh5003 4.02 Mn O A:Hoh5012 2.24 Mn O A:Hoh5016 4.32 Mn O A:Hoh5024 2.12 Mn O A:Hoh5100 4.95 interactive model: Manganese binding site 2 out of 2 in 2gui Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2gui. 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: Asp12, A: Thr13, A: Glu14, A: Arg159, A: His162, A: Gly163, A: Ala164, A: Asp167, A: Mn3000, A: U5p2000, A: Hoh5002, A: Hoh5012, A: Hoh5100, conact list: Atom Atom Distance (A) Mn CB A:Asp12 4.41 Mn OD2 A:Asp12 2.08 Mn OD1 A:Asp12 3.50 Mn CG A:Asp12 3.11 Mn O A:Thr13 3.73 Mn C A:Thr13 4.56 Mn OE1 A:Glu14 3.32 Mn OE2 A:Glu14 1.97 Mn CD A:Glu14 2.96 Mn CG A:Glu14 4.28 Mn NH2 A:Arg159 4.46 Mn CB A:His162 4.06 Mn ND1 A:His162 4.49 Mn C A:His162 4.84 Mn CG A:His162 4.69 Mn CA A:His162 4.94 Mn O A:Gly163 3.89 Mn N A:Gly163 4.50 Mn C A:Gly163 4.20 Mn CA A:Gly163 4.84 Mn N A:Ala164 4.54 Mn CA A:Ala164 4.46 Mn CB A:Asp167 3.57 Mn OD2 A:Asp167 2.03 Mn OD1 A:Asp167 4.09 Mn CG A:Asp167 3.06 Mn MN A:Mn3000 3.66 Mn P A:U5p2000 3.28 Mn O3P A:U5p2000 1.90 Mn C5' A:U5p2000 4.45 Mn O1P A:U5p2000 4.28 Mn O5' A:U5p2000 4.09 Mn O2P A:U5p2000 3.88 Mn O A:Hoh5002 4.39 Mn O A:Hoh5012 4.10 Mn O A:Hoh5100 2.34 interactive model: