Vanadium in the structure of Bacillus Stearothermophilus Phoe (Previously Known As Yhfr) in Complex With Trivanadate (pdb 1h2f)

The binding sites of Vanadium atom in the structure of Bacillus Stearothermophilus Phoe (Previously Known As Yhfr) in Complex With Trivanadate (pdb code 1h2f). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 1h2f structure was solved by D.J.RIGDEN, J.E.LITTLEJOHN, M.J.JEDRZEJAS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.0 Space group P41212 a (A) 55.758 b (A) 55.758 c (A) 163.586 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.4 Rfree (%) 24.3 Vanadium Binding Sites: Vanadium binding site 1 out of 3 in 1h2f Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 1h2f. 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: Arg9, A: His10, A: Asn16, A: Gln22, A: Arg59, A: Glu83, A: His151, A: Gly152, A: Va31209, conact list: Atom Atom Distance (A) V CD A:Arg9 4.87 V CZ A:Arg9 4.33 V CG A:Arg9 4.83 V NE A:Arg9 3.78 V NH2 A:Arg9 3.89 V NE2 A:His10 1.77 V ND1 A:His10 3.86 V CD2 A:His10 2.81 V CE1 A:His10 2.76 V CG A:His10 3.93 V ND2 A:Asn16 4.75 V NE2 A:Gln22 3.93 V CD A:Arg59 4.89 V CZ A:Arg59 4.73 V NE A:Arg59 4.00 V NH1 A:Arg59 4.45 V OE2 A:Glu83 3.71 V CD A:Glu83 4.53 V CG A:Glu83 4.75 V CB A:His151 4.11 V ND1 A:His151 3.95 V C A:His151 4.96 V CG A:His151 4.51 V CA A:His151 4.58 V N A:Gly152 4.21 V V3 A:Va31209 3.90 V O2 A:Va31209 4.42 V O9 A:Va31209 1.74 V V2 A:Va31209 3.08 V O0 A:Va31209 1.73 V O7 A:Va31209 4.93 V O3 A:Va31209 1.73 V O4 A:Va31209 3.84 V V1 A:Va31209 0.00 V O6 A:Va31209 3.73 interactive model: Vanadium binding site 2 out of 3 in 1h2f Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Vanadium in the PDB 1h2f. 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: Arg9, A: His10, A: Asn16, A: Gln22, A: Glu83, A: Va31209, A: Hoh2014, A: Hoh2139, A: Hoh2140, A: Hoh2141, conact list: Atom Atom Distance (A) V CZ A:Arg9 4.88 V NH2 A:Arg9 3.79 V NE2 A:His10 4.44 V CE1 A:His10 4.73 V ND2 A:Asn16 3.61 V CG A:Asn16 4.81 V NE2 A:Gln22 3.82 V CD A:Gln22 4.90 V OE2 A:Glu83 4.38 V V3 A:Va31209 3.18 V O2 A:Va31209 1.74 V O9 A:Va31209 4.01 V V2 A:Va31209 0.00 V O8 A:Va31209 4.13 V O0 A:Va31209 3.58 V O7 A:Va31209 4.42 V O3 A:Va31209 1.75 V O4 A:Va31209 1.74 V V1 A:Va31209 3.08 V O6 A:Va31209 1.78 V O A:Hoh2014 3.70 V O A:Hoh2139 3.46 V O A:Hoh2140 4.90 V O A:Hoh2141 3.79 interactive model: Vanadium binding site 3 out of 3 in 1h2f Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Vanadium in the PDB 1h2f. 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: Glu83, A: Gly152, A: Val153, A: Va31209, A: Hoh2139, A: Hoh2140, A: Hoh2141, conact list: Atom Atom Distance (A) V OE1 A:Glu83 3.73 V CB A:Glu83 4.83 V OE2 A:Glu83 1.81 V CD A:Glu83 2.75 V CG A:Glu83 3.41 V N A:Gly152 4.55 V C A:Gly152 4.90 V CA A:Gly152 4.59 V N A:Val153 4.19 V CB A:Val153 4.71 V CG2 A:Val153 4.04 V V3 A:Va31209 0.00 V O2 A:Va31209 4.53 V O9 A:Va31209 3.85 V V2 A:Va31209 3.18 V O8 A:Va31209 1.73 V O0 A:Va31209 3.68 V O7 A:Va31209 1.73 V O3 A:Va31209 3.92 V O4 A:Va31209 3.84 V V1 A:Va31209 3.90 V O6 A:Va31209 1.76 V O A:Hoh2139 3.36 V O A:Hoh2140 4.19 V O A:Hoh2141 3.59 interactive model: