Vanadium in the structure of Crystal Structures of Rat Acid Phosphatase Complexed With The Transitions State Analogs Vanadate and Molybdate: Implications For the Reaction Mechanism (pdb 1rpt)

The binding sites of Vanadium atom in the structure of Crystal Structures of Rat Acid Phosphatase Complexed With The Transitions State Analogs Vanadate and Molybdate: Implications For the Reaction Mechanism (pdb code 1rpt). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 1rpt structure was solved by Y.LINDQVIST, G.SCHNEIDER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 3.0 Space group P3221 a (A) 89.400 b (A) 89.400 c (A) 152.000 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 21.5 Rfree (%) n/a Vanadium Binding Sites: Vanadium binding site 1 out of 1 in 1rpt Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 1rpt. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Vanadium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Arg11, A: His12, A: Arg15, A: Arg79, A: His257, A: Asp258, A: Vo4343, conact list: Atom Atom Distance (A) V CZ A:Arg11 4.62 V NH1 A:Arg11 3.89 V NE2 A:His12 1.97 V ND1 A:His12 3.98 V CD2 A:His12 2.89 V CE1 A:His12 2.90 V CG A:His12 4.00 V CD A:Arg15 4.82 V CZ A:Arg15 4.34 V NE A:Arg15 3.89 V NH2 A:Arg15 4.06 V CD A:Arg79 4.90 V CZ A:Arg79 4.54 V NH1 A:Arg79 3.71 V CB A:His257 4.64 V ND1 A:His257 3.63 V CE1 A:His257 4.55 V CG A:His257 4.50 V CA A:His257 4.71 V N A:Asp258 4.39 V OD2 A:Asp258 3.90 V CG A:Asp258 4.52 V O1 A:Vo4343 1.65 V O2 A:Vo4343 1.53 V O4 A:Vo4343 1.66 V O3 A:Vo4343 1.76 V V A:Vo4343 0.00 interactive model: