Vanadium in the structure of Protein Tyrosine Phosphatase 1B - Transition State Analog For the Second Catalytic Step (pdb 3i80)

The binding sites of Vanadium atom in the structure of Protein Tyrosine Phosphatase 1B - Transition State Analog For the Second Catalytic Step (pdb code 3i80). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 3i80 structure was solved by T.A.S.BRANDAO, S.J.JOHNSON, A.C.HENGGE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 35.7-2.2 Space group P3121 a (A) 87.840 b (A) 87.840 c (A) 103.790 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19.9 Rfree (%) 23.5 Vanadium Binding Sites: Vanadium binding site 1 out of 1 in 3i80 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 3i80. 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: Asp181, A: Cys215, A: Ser216, A: Ala217, A: Gly218, A: Ile219, A: Gly220, A: Arg221, A: Gln262, A: Vo4322, A: Gol326, A: Hoh490, A: Hoh497, conact list: Atom Atom Distance (A) V OD2 A:Asp181 3.88 V CG A:Asp181 4.83 V CB A:Cys215 3.51 V SG A:Cys215 2.51 V C A:Cys215 4.79 V CA A:Cys215 4.69 V N A:Ser216 4.03 V CB A:Ser216 4.87 V C A:Ser216 4.83 V CA A:Ser216 4.79 V N A:Ala217 3.87 V C A:Ala217 4.76 V CB A:Ala217 4.25 V CA A:Ala217 4.49 V N A:Gly218 4.10 V CA A:Gly218 4.94 V N A:Ile219 4.32 V C A:Ile219 4.90 V N A:Gly220 3.79 V C A:Gly220 4.68 V CA A:Gly220 4.22 V N A:Arg221 4.03 V CB A:Arg221 4.80 V CD A:Arg221 5.00 V CZ A:Arg221 4.39 V CG A:Arg221 4.88 V NE A:Arg221 3.89 V NH2 A:Arg221 3.92 V OE1 A:Gln262 3.80 V CD A:Gln262 4.72 V O1 A:Vo4322 1.91 V O2 A:Vo4322 1.91 V O4 A:Vo4322 2.10 V O3 A:Vo4322 1.91 V V A:Vo4322 0.00 V O1 A:Gol326 4.36 V O A:Hoh490 3.78 V O A:Hoh497 3.98 interactive model: