Vanadium in the structure of W354F Yersinia Enterocolitica Ptpase Complexed With Divanadate (pdb 3f9b)

The binding sites of Vanadium atom in the structure of W354F Yersinia Enterocolitica Ptpase Complexed With Divanadate (pdb code 3f9b). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 3f9b structure was solved by T.A.S.BRANDAO, H.ROBINSON, S.J.JOHNSON, A.C.HENGGE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.1-1.4 Space group P212121 a (A) 54.196 b (A) 58.191 c (A) 90.347 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.3 Rfree (%) 19.6 Vanadium Binding Sites: Vanadium binding site 1 out of 3 in 3f9b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 3f9b. 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: Arg278, A: Lys342, A: Ser388, A: Ser389, A: Vo4501, A: Hoh546, A: Hoh589, A: Hoh592, A: Hoh609, conact list: Atom Atom Distance (A) V CZ A:Arg278 4.47 V NE A:Arg278 4.13 V NH2 A:Arg278 3.81 V CD A:Lys342 4.69 V CB A:Ser388 4.40 V OG A:Ser388 3.72 V C A:Ser388 4.81 V CA A:Ser388 4.41 V N A:Ser389 4.17 V CB A:Ser389 4.99 V OG A:Ser389 4.14 V O1 A:Vo4501 1.91 V O2 A:Vo4501 1.91 V O4 A:Vo4501 1.91 V O3 A:Vo4501 1.91 V V A:Vo4501 0.00 V O A:Hoh546 4.44 V O A:Hoh589 3.30 V O A:Hoh592 3.70 V O A:Hoh609 4.51 interactive model: Vanadium binding site 2 out of 3 in 3f9b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Vanadium in the PDB 3f9b. 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: Gly408, A: Arg409, A: Gln446, A: Lys447, A: Gln450, A: Pdv502, A: Hoh63, A: Hoh510, conact list: Atom Atom Distance (A) V N A:Gly408 4.88 V C A:Gly408 4.71 V CA A:Gly408 4.23 V N A:Arg409 4.15 V CD A:Arg409 4.61 V CZ A:Arg409 4.54 V CG A:Arg409 4.30 V NE A:Arg409 3.88 V NH2 A:Arg409 4.47 V NE2 A:Gln446 3.95 V CE A:Lys447 4.57 V NZ A:Lys447 4.66 V NE2 A:Gln450 3.79 V O5 A:Pdv502 1.91 V O2 A:Pdv502 4.20 V V2 A:Pdv502 0.00 V O1 A:Pdv502 4.10 V O7 A:Pdv502 1.91 V O3 A:Pdv502 2.07 V O4 A:Pdv502 2.08 V V1 A:Pdv502 3.13 V O6 A:Pdv502 1.90 V O A:Hoh63 4.44 V O A:Hoh510 4.58 interactive model: Vanadium binding site 3 out of 3 in 3f9b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Vanadium in the PDB 3f9b. 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: Cys403, A: Arg404, A: Ala405, A: Gly406, A: Val407, A: Gly408, A: Arg409, A: Gln446, A: Pdv502, A: Hoh510, conact list: Atom Atom Distance (A) V CB A:Cys403 3.49 V SG A:Cys403 2.44 V C A:Cys403 4.85 V CA A:Cys403 4.70 V N A:Arg404 4.06 V CB A:Arg404 4.87 V C A:Arg404 4.89 V CA A:Arg404 4.83 V N A:Ala405 3.95 V C A:Ala405 4.85 V CB A:Ala405 4.42 V CA A:Ala405 4.61 V N A:Gly406 4.19 V N A:Val407 4.42 V C A:Val407 4.94 V N A:Gly408 3.82 V C A:Gly408 4.65 V CA A:Gly408 4.15 V N A:Arg409 4.09 V CB A:Arg409 4.82 V CD A:Arg409 4.98 V CZ A:Arg409 4.42 V CG A:Arg409 4.91 V NE A:Arg409 3.90 V NH2 A:Arg409 3.96 V NE2 A:Gln446 4.71 V O5 A:Pdv502 4.13 V O2 A:Pdv502 1.89 V V2 A:Pdv502 3.13 V O1 A:Pdv502 1.89 V O7 A:Pdv502 4.06 V O3 A:Pdv502 2.04 V O4 A:Pdv502 2.05 V V1 A:Pdv502 0.00 V O6 A:Pdv502 4.14 V O A:Hoh510 4.26 interactive model: