Manganese in the structure of Chey-Binding Domain of Chea in Complex With Chey With A Bound Imido Diphosphate (pdb 1ffw)

The binding sites of Manganese atom in the structure of Chey-Binding Domain of Chea in Complex With Chey With A Bound Imido Diphosphate (pdb code 1ffw). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1ffw structure was solved by P.GOUET, N.CHINARDET, M.WELCH, V.GUILLET, C.BIRCK, L.MOUREY, J-P.SAMAMA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-2.7 Space group P212121 a (A) 159.300 b (A) 53.400 c (A) 77.800 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.3 Rfree (%) 27.3 Manganese Binding Sites: Manganese binding site 1 out of 2 in 1ffw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1ffw. 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: Asp13, A: Phe14, A: Asp57, A: Asn59, A: Met60, A: Lys109, C: Glu5, conact list: Atom Atom Distance (A) Mn OD2 A:Asp12 4.22 Mn OD1 A:Asp12 3.66 Mn CG A:Asp12 4.27 Mn N A:Asp13 4.71 Mn CB A:Asp13 4.99 Mn OD2 A:Asp13 4.03 Mn OD1 A:Asp13 2.59 Mn CG A:Asp13 3.67 Mn CE2 A:Phe14 4.24 Mn CD2 A:Phe14 3.98 Mn CB A:Asp57 4.40 Mn OD2 A:Asp57 2.70 Mn OD1 A:Asp57 4.18 Mn CG A:Asp57 3.53 Mn O A:Asn59 2.62 Mn N A:Asn59 4.51 Mn CB A:Asn59 3.91 Mn C A:Asn59 3.74 Mn CA A:Asn59 4.27 Mn N A:Met60 4.87 Mn CG A:Met60 4.63 Mn NZ A:Lys109 4.15 Mn OE1 C:Glu5 2.93 Mn OE2 C:Glu5 3.29 Mn CD C:Glu5 3.49 Mn CG C:Glu5 4.99 interactive model: Manganese binding site 2 out of 2 in 1ffw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1ffw. 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: C: Asp12, C: Asp13, C: Phe14, C: Asp57, C: Asn59, C: Met60, C: Lys109, C: Hoh173, C: Hoh182, conact list: Atom Atom Distance (A) Mn OD2 C:Asp12 4.64 Mn OD1 C:Asp12 3.41 Mn CG C:Asp12 4.37 Mn N C:Asp13 4.75 Mn CB C:Asp13 4.91 Mn OD2 C:Asp13 3.90 Mn OD1 C:Asp13 2.54 Mn CG C:Asp13 3.58 Mn CE2 C:Phe14 3.98 Mn CD2 C:Phe14 3.89 Mn CG C:Phe14 4.90 Mn CB C:Asp57 4.63 Mn OD2 C:Asp57 2.69 Mn OD1 C:Asp57 4.49 Mn CG C:Asp57 3.75 Mn O C:Asn59 2.59 Mn N C:Asn59 4.44 Mn CB C:Asn59 4.13 Mn C C:Asn59 3.72 Mn CA C:Asn59 4.28 Mn N C:Met60 4.85 Mn CG C:Met60 4.75 Mn NZ C:Lys109 4.49 Mn O C:Hoh173 3.55 Mn O C:Hoh182 2.86 interactive model: