Manganese in the structure of Human MST3 Kinase in Complex With Mnadp (pdb 3a7j)

The binding sites of Manganese atom in the structure of Human MST3 Kinase in Complex With Mnadp (pdb code 3a7j). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3a7j structure was solved by T.P.KO, W.Y.JENG, C.I.LIU, M.D.LAI, A.H.J.WANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.5 Space group P1211 a (A) 47.816 b (A) 53.527 c (A) 60.634 alpha (°) 90.00 beta (°) 109.95 gamma (°) 90.00 Rfactor (%) 18.6 Rfree (%) 21 Manganese Binding Sites: Manganese binding site 1 out of 2 in 3a7j Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3a7j. 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: Ala148, A: Asn149, A: Asp162, A: Adp500, A: Hoh345, A: Hoh444, A: Hoh521, A: Hoh558, A: Hoh588, A: Hoh591, A: Hoh593, A: Hoh625, conact list: Atom Atom Distance (A) Mn O A:Ala148 4.42 Mn C A:Ala148 4.90 Mn CB A:Asn149 4.55 Mn ND2 A:Asn149 3.63 Mn OD1 A:Asn149 2.17 Mn CG A:Asn149 3.19 Mn CA A:Asn149 4.82 Mn CB A:Asp162 3.62 Mn OD2 A:Asp162 2.13 Mn OD1 A:Asp162 4.20 Mn CG A:Asp162 3.15 Mn PA A:Adp500 3.55 Mn O2A A:Adp500 2.16 Mn PB A:Adp500 4.58 Mn C5' A:Adp500 4.61 Mn O5' A:Adp500 4.43 Mn O2B A:Adp500 3.93 Mn O3A A:Adp500 4.26 Mn O1A A:Adp500 4.44 Mn O A:Hoh345 4.05 Mn O A:Hoh444 1.93 Mn O A:Hoh521 3.91 Mn O A:Hoh558 4.33 Mn O A:Hoh588 2.15 Mn O A:Hoh591 3.75 Mn O A:Hoh593 1.97 Mn O A:Hoh625 4.14 interactive model: Manganese binding site 2 out of 2 in 3a7j Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 3a7j. 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: Ser34, A: Lys53, A: Glu70, A: Asp162, A: Gly164, A: Adp500, A: Hoh343, A: Hoh344, A: Hoh442, A: Hoh521, A: Hoh590, A: Hoh593, A: Hoh633, A: Hoh635, conact list: Atom Atom Distance (A) Mn OG A:Ser34 4.71 Mn NZ A:Lys53 4.37 Mn OE1 A:Glu70 4.89 Mn CB A:Asp162 4.51 Mn OD2 A:Asp162 3.45 Mn C A:Asp162 4.93 Mn OD1 A:Asp162 2.15 Mn CG A:Asp162 3.14 Mn CA A:Asp162 4.79 Mn N A:Gly164 4.44 Mn CA A:Gly164 4.52 Mn O3B A:Adp500 4.43 Mn O1B A:Adp500 2.01 Mn PB A:Adp500 3.24 Mn O2B A:Adp500 3.70 Mn O3A A:Adp500 4.34 Mn O A:Hoh343 4.20 Mn O A:Hoh344 1.97 Mn O A:Hoh442 3.93 Mn O A:Hoh521 2.10 Mn O A:Hoh590 3.98 Mn O A:Hoh593 4.38 Mn O A:Hoh633 2.11 Mn O A:Hoh635 2.15 interactive model: