Manganese in the structure of Crystal Structure Of Human Protein Phosphatase 1A (PPM1A) Bound With Phosphate At 3 Mm of MN2+ (pdb 3fxj)

The binding sites of Manganese atom in the structure of Crystal Structure Of Human Protein Phosphatase 1A (PPM1A) Bound With Phosphate At 3 Mm of MN2+ (pdb code 3fxj). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3fxj structure was solved by T.HU, L.WANG, K.WANG, H.JIANG, X.SHEN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-2.5 Space group P3121 a (A) 91.382 b (A) 91.382 c (A) 106.738 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19 Rfree (%) 25.5 Manganese Binding Sites: Manganese binding site 1 out of 2 in 3fxj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3fxj. 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: Asp38, A: Asp60, A: Cys238, A: Asp239, A: Gly240, A: Asp282, A: Asn283, A: Mn392, A: Po4393, A: Hoh400, A: Hoh402, A: Hoh419, A: Hoh435, A: Hoh444, A: Hoh553, A: Hoh554, A: Hoh619, A: Hoh620, conact list: Atom Atom Distance (A) Mn OD1 A:Asp38 4.84 Mn CB A:Asp60 4.44 Mn OD2 A:Asp60 2.22 Mn OD1 A:Asp60 3.19 Mn CG A:Asp60 3.04 Mn CB A:Cys238 4.82 Mn SG A:Cys238 4.80 Mn N A:Asp239 4.59 Mn CB A:Asp239 4.43 Mn OD2 A:Asp239 3.25 Mn C A:Asp239 4.86 Mn OD1 A:Asp239 2.10 Mn CG A:Asp239 3.02 Mn CA A:Asp239 4.81 Mn N A:Gly240 4.28 Mn CB A:Asp282 4.42 Mn OD2 A:Asp282 2.10 Mn OD1 A:Asp282 3.46 Mn CG A:Asp282 3.11 Mn O A:Asn283 4.56 Mn MN A:Mn392 3.80 Mn O2 A:Po4393 3.87 Mn P A:Po4393 4.97 Mn O3 A:Po4393 4.83 Mn O A:Hoh400 4.31 Mn O A:Hoh402 4.58 Mn O A:Hoh419 4.60 Mn O A:Hoh435 2.47 Mn O A:Hoh444 4.92 Mn O A:Hoh553 3.71 Mn O A:Hoh554 2.34 Mn O A:Hoh619 4.07 Mn O A:Hoh620 2.57 interactive model: Manganese binding site 2 out of 2 in 3fxj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 3fxj. 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: Glu37, A: Asp38, A: Asp60, A: Gly61, A: His62, A: Asp282, A: Asn283, A: Mn391, A: Po4393, A: Hoh402, A: Hoh416, A: Hoh435, A: Hoh444, A: Hoh460, A: Hoh485, A: Hoh553, A: Hoh554, A: Hoh620, conact list: Atom Atom Distance (A) Mn O A:Glu37 4.73 Mn OE1 A:Glu37 4.33 Mn CB A:Glu37 4.37 Mn C A:Glu37 4.82 Mn OD1 A:Asp38 4.09 Mn O A:Asp60 4.60 Mn CB A:Asp60 4.61 Mn OD2 A:Asp60 3.99 Mn C A:Asp60 4.19 Mn OD1 A:Asp60 2.21 Mn CG A:Asp60 3.41 Mn CA A:Asp60 4.66 Mn O A:Gly61 2.18 Mn N A:Gly61 3.96 Mn C A:Gly61 3.38 Mn CA A:Gly61 4.23 Mn N A:His62 4.33 Mn CB A:His62 4.45 Mn CB A:His62 4.96 Mn CA A:His62 4.44 Mn CA A:His62 4.52 Mn OD2 A:Asp282 5.00 Mn OD1 A:Asp282 4.51 Mn OD1 A:Asn283 4.31 Mn MN A:Mn391 3.80 Mn O1 A:Po4393 4.73 Mn O2 A:Po4393 3.81 Mn P A:Po4393 4.54 Mn O3 A:Po4393 4.30 Mn O A:Hoh402 2.19 Mn O A:Hoh416 2.54 Mn O A:Hoh435 4.21 Mn O A:Hoh444 4.28 Mn O A:Hoh460 4.68 Mn O A:Hoh485 4.99 Mn O A:Hoh553 2.33 Mn O A:Hoh554 2.22 Mn O A:Hoh620 4.57 interactive model: