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 |
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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:
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