Manganese in the structure of Crystal Structure of High Affinity Alphal I Domain With Ligand Mimetic Crystal Contact (pdb 1mq9)

The binding sites of Manganese atom in the structure of Crystal Structure of High Affinity Alphal I Domain With Ligand Mimetic Crystal Contact (pdb code 1mq9). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1mq9 structure was solved by M.SHIMAOKA, T.XIAO, J.-H.LIU, Y.YANG, Y.DONG, C.-D.JUN, A.MCCORMACK, R.ZHANG, A.JOACHIMIAK, J.TAKAGI, J.-H.WANG, T.A.SPRINGER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 27.9-2.0 Space group P41212 a (A) 35.546 b (A) 35.546 c (A) 269.626 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.2 Rfree (%) 26.5 Manganese Binding Sites: Manganese binding site 1 out of 1 in 1mq9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1mq9. 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: Asp137, A: Ser139, A: Met140, A: Ser141, A: Leu142, A: Thr206, A: Asp239, A: Glu241, A: Hoh26, A: Hoh62, A: Hoh83, conact list: Atom Atom Distance (A) Mn OD2 A:Asp137 4.31 Mn OD1 A:Asp137 4.35 Mn CG A:Asp137 4.78 Mn CB A:Ser139 3.17 Mn OG A:Ser139 2.23 Mn C A:Ser139 4.75 Mn CA A:Ser139 4.51 Mn N A:Met140 4.88 Mn N A:Ser141 4.01 Mn CB A:Ser141 3.11 Mn OG A:Ser141 2.20 Mn C A:Ser141 4.96 Mn CA A:Ser141 4.14 Mn CD2 A:Leu142 4.64 Mn N A:Thr206 4.77 Mn CB A:Thr206 3.54 Mn CG2 A:Thr206 3.77 Mn OG1 A:Thr206 2.33 Mn CA A:Thr206 4.70 Mn OD2 A:Asp239 4.48 Mn OD1 A:Asp239 4.36 Mn CG A:Asp239 4.84 Mn O A:Glu241 4.60 Mn OE2 A:Glu241 4.41 Mn CG A:Glu241 4.67 Mn O A:Hoh26 2.09 Mn O A:Hoh62 1.99 Mn O A:Hoh83 4.30 interactive model: