Vanadium in the structure of Crystal Structure of Yersinia Protein Tyrosine Phosphatase Complexed With Vanadate, A Transition State Analogue (pdb 2i42)

The binding sites of Vanadium atom in the structure of Crystal Structure of Yersinia Protein Tyrosine Phosphatase Complexed With Vanadate, A Transition State Analogue (pdb code 2i42). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 2i42 structure was solved by J.VIJAYALAKSHMI, M.A.SAPER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 7.0-2.2 Space group P212121 a (A) 56.390 b (A) 49.660 c (A) 100.390 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17 Rfree (%) n/a Vanadium Binding Sites: Vanadium binding site 1 out of 1 in 2i42 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 2i42. 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: Asp356, A: Cys403, A: Arg404, A: Ala405, A: Gly406, A: Val407, A: Gly408, A: Arg409, A: Gln446, A: I421, A: Hoh512, A: Hoh599, conact list: Atom Atom Distance (A) V OD2 A:Asp356 3.97 V CG A:Asp356 4.72 V CB A:Cys403 3.45 V SG A:Cys403 2.52 V C A:Cys403 4.78 V CA A:Cys403 4.64 V N A:Arg404 3.95 V CB A:Arg404 4.80 V C A:Arg404 4.84 V CA A:Arg404 4.74 V N A:Ala405 3.89 V C A:Ala405 4.74 V CB A:Ala405 4.21 V CA A:Ala405 4.51 V N A:Gly406 4.06 V CA A:Gly406 4.94 V N A:Val407 4.36 V CG2 A:Val407 4.99 V C A:Val407 4.96 V N A:Gly408 3.85 V C A:Gly408 4.64 V CA A:Gly408 4.28 V N A:Arg409 3.90 V CB A:Arg409 4.49 V CD A:Arg409 4.80 V CZ A:Arg409 4.18 V CG A:Arg409 4.72 V NE A:Arg409 3.69 V NH2 A:Arg409 3.72 V CA A:Arg409 4.81 V OE1 A:Gln446 4.36 V OV2 A:I421 1.68 V OV3 A:I421 1.61 V V A:I421 0.00 V OV4 A:I421 1.94 V OV1 A:I421 1.71 V O A:Hoh512 4.00 V O A:Hoh599 4.35 interactive model: