Vanadium in the structure of Scallop Myosin S1 Complexed With Mgadp:Vanadate-Transition State (pdb 1dfl)

The binding sites of Vanadium atom in the structure of Scallop Myosin S1 Complexed With Mgadp:Vanadate-Transition State (pdb code 1dfl). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 1dfl structure was solved by A.HOUDUSSE, A.G.SZENT-GYORGYI, C.COHEN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-4.2 Space group P1211 a (A) 53.032 b (A) 243.475 c (A) 124.650 alpha (°) 90.00 beta (°) 100.20 gamma (°) 90.00 Rfactor (%) 39.4 Rfree (%) 40 Vanadium Binding Sites: Vanadium binding site 1 out of 2 in 1dfl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 1dfl. 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: Ser178, A: Gly179, A: Ser240, A: Ser241, A: Gly463, A: Mg1997, A: Vo41998, A: Adp1999, conact list: Atom Atom Distance (A) V C A:Ser178 4.85 V CB A:Ser178 4.48 V CA A:Ser178 4.37 V N A:Gly179 4.35 V CA A:Ser240 4.88 V O A:Ser241 4.71 V N A:Ser241 4.21 V CB A:Ser241 4.57 V CA A:Ser241 4.95 V N A:Gly463 4.17 V MG A:Mg1997 3.40 V O1 A:Vo41998 1.67 V O2 A:Vo41998 1.64 V O4 A:Vo41998 2.27 V O3 A:Vo41998 1.67 V V A:Vo41998 0.00 V O3B A:Adp1999 2.08 V O1B A:Adp1999 3.52 V PB A:Adp1999 3.21 V O2B A:Adp1999 4.09 V O3A A:Adp1999 4.38 interactive model: Vanadium binding site 2 out of 2 in 1dfl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Vanadium in the PDB 1dfl. 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: Ser178, B: Gly179, B: Ser241, B: Ala462, B: Gly463, B: Mg2997, B: Vo42998, B: Adp2999, conact list: Atom Atom Distance (A) V C B:Ser178 4.84 V CB B:Ser178 4.47 V CA B:Ser178 4.35 V N B:Gly179 4.34 V N B:Ser241 4.63 V CB B:Ser241 4.92 V C B:Ala462 4.63 V CA B:Ala462 4.51 V N B:Gly463 3.89 V MG B:Mg2997 3.40 V O1 B:Vo42998 1.67 V O2 B:Vo42998 1.64 V O4 B:Vo42998 2.27 V O3 B:Vo42998 1.67 V V B:Vo42998 0.00 V O3B B:Adp2999 2.08 V O1B B:Adp2999 3.52 V PB B:Adp2999 3.21 V O2B B:Adp2999 4.09 V O3A B:Adp2999 4.38 interactive model: