| Title | Dimension conversion and scaling of disordered protein chains |
| Authors | Li, Maodong Sun, Tanlin Jin, Fan Yu, Daqi Liu, Zhirong |
| Affiliation | Peking Univ, Ctr Quantitat Biol, Beijing 100871, Peoples R China. Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China. Peking Univ, BNLMS, Beijing 100871, Peoples R China. Peking Univ, Ctr Quantitat Biol, Beijing 100871, Peoples R China. Liu, ZR (reprint author), Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China. Liu, ZR (reprint author), Peking Univ, BNLMS, Beijing 100871, Peoples R China. |
| Keywords | SINGLE-MOLECULE SPECTROSCOPY UNFOLDED PROTEINS NONNATIVE INTERACTIONS FOLDING SIMULATIONS INTRINSIC DISORDER GLOBULE TRANSITION DESIGNED PROTEIN TRANSFER MODEL STATE FRET |
| Issue Date | 2016 |
| Publisher | MOLECULAR BIOSYSTEMS |
| Citation | MOLECULAR BIOSYSTEMS.2016,12(9),2932-2940. |
| Abstract | To extract protein dimension and energetics information from single-molecule fluorescence resonance energy transfer spectroscopy (smFRET) data, it is essential to establish the relationship between the distributions of the radius of gyration (R-g) and the end-to-end (donor-to-acceptor) distance (R-ee). Here, we performed a coarse-grained molecular dynamics simulation to obtain a conformational ensemble of denatured proteins and intrinsically disordered proteins. For any disordered chain with fixed length, there is an excellent linear correlation between the average values of R-g and R-ee under various solvent conditions, but the relationship deviates from the prediction of a Gaussian chain. A modified conversion formula was proposed to analyze smFRET data. The formula reduces the discrepancy between the results obtained from FRET and small-angle X-ray scattering (SAXS). The scaling law in a coil-globule transition process was examined where a significant finite-size effect was revealed, i.e., the scaling exponent may exceed the theoretical critical boundary [1/3, 3/5] and the prefactor changes notably during the transition. The Sanchez chain model was also tested and it was shown that the mean-field approximation works well for expanded chains. |
| URI | http://hdl.handle.net/20.500.11897/492451 |
| ISSN | 1742-206X |
| DOI | 10.1039/c6mb00415f |
| Indexed | SCI(E) PubMed |
| Appears in Collections: | 生命科学学院 å å¦ä¸ å å å·¥ç¨ å¦é ¢ |
