Vanadium in the structure of The Structural Basis of Blebbistatin Inhibition and Specificity For Myosin II (pdb 1yv3)

The binding sites of Vanadium atom in the structure of The Structural Basis of Blebbistatin Inhibition and Specificity For Myosin II (pdb code 1yv3). This binding sites where shown with 5.0 Angstroms radius around Vanadium atom. The 1yv3 structure was solved by J.S.ALLINGHAM, R.SMITH, I.RAYMENT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-2.0 Space group C2221 a (A) 88.106 b (A) 145.770 c (A) 152.912 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.3 Rfree (%) 21.5 Vanadium Binding Sites: Vanadium binding site 1 out of 1 in 1yv3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Vanadium in the PDB 1yv3. 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: Ser456, A: Gly457, A: Mg997, A: Vo4998, A: Adp1000, A: Hoh1053, A: Hoh1276, A: Hoh1454, conact list: Atom Atom Distance (A) V CB A:Ser181 4.40 V OG A:Ser181 3.92 V C A:Ser181 4.55 V CA A:Ser181 4.03 V N A:Gly182 3.97 V CA A:Gly182 5.00 V CE A:Lys185 4.59 V NZ A:Lys185 4.03 V ND2 A:Asn233 3.83 V CG A:Asn233 4.97 V CB A:Ser236 4.66 V OG A:Ser236 3.88 V C A:Ser236 4.68 V CA A:Ser236 4.34 V O A:Ser237 4.45 V N A:Ser237 3.96 V CB A:Ser237 4.50 V OG A:Ser237 4.65 V CA A:Ser237 4.76 V CA A:Ser456 4.84 V N A:Gly457 4.19 V CA A:Gly457 4.91 V MG A:Mg997 3.48 V O1 A:Vo4998 1.67 V O2 A:Vo4998 1.79 V O4 A:Vo4998 2.15 V O3 A:Vo4998 1.63 V V A:Vo4998 0.00 V O3B A:Adp1000 2.10 V O1B A:Adp1000 3.62 V PB A:Adp1000 3.23 V O2B A:Adp1000 4.07 V O3A A:Adp1000 4.41 V O A:Hoh1053 4.02 V O A:Hoh1276 4.34 V O A:Hoh1454 3.99 interactive model: