Vanadium in the structure of Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II (pdb 3bz8)

The binding sites of Vanadium atom in the structure of Crystal Structures of (S)-(-)-Blebbistatin Analogs Bound to Dictyostelium Discoideum Myosin II (pdb code 3bz8). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 3bz8 structure was solved by J.S.ALLINGHAM, I.RAYMENT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.2 Space group C2221 a (A) 88.013 b (A) 147.772 c (A) 153.390 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.2 Rfree (%) 24.5 Vanadium Binding Sites: Vanadium binding site 1 out of 1 in 3bz8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 3bz8. 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: Ser181, A: Gly182, A: Lys185, A: Asn233, A: Ser236, A: Ser237, A: Ile455, A: Ser456, A: Gly457, A: Mg997, A: Vo4998, A: Adp1000, A: Hoh1053, A: Hoh1264, A: Hoh1419, conact list: Atom Atom Distance (A) V CB A:Ser181 4.29 V OG A:Ser181 3.93 V C A:Ser181 4.46 V CA A:Ser181 3.96 V N A:Gly182 3.91 V CE A:Lys185 4.50 V NZ A:Lys185 4.10 V CB A:Asn233 4.97 V ND2 A:Asn233 3.76 V CG A:Asn233 4.84 V CB A:Ser236 4.63 V OG A:Ser236 3.84 V C A:Ser236 4.65 V CA A:Ser236 4.35 V O A:Ser237 4.43 V N A:Ser237 3.94 V CB A:Ser237 4.47 V OG A:Ser237 4.64 V CA A:Ser237 4.75 V O A:Ile455 4.91 V C A:Ser456 4.94 V CA A:Ser456 4.72 V N A:Gly457 4.10 V CA A:Gly457 4.84 V MG A:Mg997 3.53 V O1 A:Vo4998 1.73 V O2 A:Vo4998 1.75 V O4 A:Vo4998 2.06 V O3 A:Vo4998 1.73 V V A:Vo4998 0.00 V O3B A:Adp1000 2.14 V O1B A:Adp1000 3.64 V PB A:Adp1000 3.32 V O2B A:Adp1000 4.12 V O3A A:Adp1000 4.37 V O A:Hoh1053 4.06 V O A:Hoh1264 4.26 V O A:Hoh1419 3.87 interactive model: