선택한 단어 수는 입니다.
최소 단어 이상 선택하여야 합니다.
최소 단어 이상 선택하여야 합니다.
선택한 단어 수는 30입니다.
최대 10 단어까지만 선택 가능합니다.
최대 10 단어까지만 선택 가능합니다.
제안 방법
- 8 constraints per residue. After carrying out the simulated annealing calculations starting with 100 random structures, the 20 final structures were selected based on the lowest CYANA target function and were further refined using CNS with a water shell refinement protocol. The average CYANA target function for the 20 final structures was 0.
- We chose to use 50% TFE as the solvent over 100 mM SDS micelles because all of the signals were well dispersed, without severe overlapping of the NMR peaks. Complete sequence-specific resonance assignments (Fig. 1B) were established from 3D 15N-TOCSY-HSQC and 15N-NOESY-HSQC, combined with a series of 2D analyses (DQF-COSY, TOCSY and NOESY). Identification of the amino acid spin system was based on scalar coupling patterns observed in 3D 15N-TOCSY-HSQC, 2D DQF-COSY and 2D TOCSY.
- It was recently reported that although the antimicrobial activity of DCD-1 originates with its binding to bacterial membranes, the bacterial membrane not very permeable to DCD-1 (18). To investigate the interaction between DCD-1 and the bacterial membrane in more detail, we carried out structure-based analysis using the NMR solution structure as a model and synthesized seven DCD-derived peptides, including DCD-1, DCD-1L and five DCD fragments (Table 1). Among the fragments, DCD (1-16) included helixes I and II (Fig.
이론/모형
- DCD-1 and its fragments were synthesized using the solid phase method with Fmoc (fluoren-9-yl-methoxycarbonyl)-chemistry. Fmoc-protected peptides were deprotected and cleaved using a mixture of TFA (trifluoroacetic acid), phenol, water, thioanisole and 1,2-ethandithiol (82.
- 0 Hz, it was constrained in the range of −120° ± 40°. On the basis of these constraints, structure calculations were carried out using CYANA 2.1 with torsion angle dynamics (29). Twenty structures were calculated from 100 randomized structures based on the target function and processed with water refinement and molecular dynamics simulations using CNS (30).
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