Vanadium in the structure of Estrogen Sulfotransferase With Inactive Cofactor Pap and Vanadate (pdb 1bo6)

The binding sites of Vanadium atom in the structure of Estrogen Sulfotransferase With Inactive Cofactor Pap and Vanadate (pdb code 1bo6). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 1bo6 structure was solved by Y.KAKUTA, M.NEGISHI, L.C.PEDERSEN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.1 Space group P21212 a (A) 96.292 b (A) 78.909 c (A) 80.362 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.7 Rfree (%) 24.9 Vanadium Binding Sites: Vanadium binding site 1 out of 2 in 1bo6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 1bo6. 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: Lys48, A: Thr51, A: Lys106, A: His108, A: Phe255, A: Vo4302, A: A3p301, A: Hoh394, conact list: Atom Atom Distance (A) V N A:Lys48 4.25 V CE A:Lys48 4.73 V CD A:Lys48 4.14 V CA A:Lys48 4.88 V NZ A:Lys48 4.03 V CB A:Thr51 4.68 V OG1 A:Thr51 4.13 V CE A:Lys106 4.74 V NZ A:Lys106 3.99 V NE2 A:His108 3.68 V CD2 A:His108 4.89 V CE1 A:His108 4.02 V CZ A:Phe255 4.29 V CE1 A:Phe255 4.49 V O1 A:Vo4302 1.66 V O2 A:Vo4302 1.68 V O4 A:Vo4302 2.30 V O3 A:Vo4302 1.69 V V A:Vo4302 0.00 V O5P A:A3p301 3.52 V P2 A:A3p301 3.27 V O4P A:A3p301 3.96 V O6P A:A3p301 2.08 V O5' A:A3p301 4.50 V O A:Hoh394 4.82 interactive model: Vanadium binding site 2 out of 2 in 1bo6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Vanadium in the PDB 1bo6. 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: B: Pro47, B: Lys48, B: Thr51, B: Lys106, B: His108, B: Phe255, B: Vo4304, B: A3p303, B: Hoh389, conact list: Atom Atom Distance (A) V CA B:Pro47 4.99 V N B:Lys48 4.24 V CE B:Lys48 4.69 V CD B:Lys48 4.10 V CA B:Lys48 4.88 V NZ B:Lys48 4.00 V CB B:Thr51 4.77 V OG1 B:Thr51 4.25 V CE B:Lys106 4.70 V NZ B:Lys106 3.97 V NE2 B:His108 3.64 V CD2 B:His108 4.85 V CE1 B:His108 3.98 V CZ B:Phe255 4.33 V CE1 B:Phe255 4.52 V O1 B:Vo4304 1.68 V O2 B:Vo4304 1.66 V O4 B:Vo4304 2.32 V O3 B:Vo4304 1.70 V V B:Vo4304 0.00 V O5P B:A3p303 3.58 V P2 B:A3p303 3.28 V O4P B:A3p303 4.00 V O6P B:A3p303 2.05 V O5' B:A3p303 4.45 V O B:Hoh389 4.99 interactive model: