Fluorescent protein chromophore structures

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Bell AF, He X, Wachter RM, Tonge PJ (2000) Probing the ground state structure of the green fluorescent protein chromophore using Raman spectroscopy. Biochemistry 39 4423 1431... 

Usman A, Mohammed OP, Nibbering ET, Dong J, Solntsev KM, Tolbert LM (2005) Excited-state structure determination of the green fluorescent protein chromophore. J Am Chem Soc 127 11214-11215... 

Fig. 5.5 Models of the green fluorescent protein chromophore in the neutral, anionic, and zwitterionic forms used in the quantum chemical calculations, shown in those resonance structures that best represent the calculated bond orders. Rotation by 180° around (p leaves the structure unchanged. The configurations displayed represent r = 0° and are referred to as cis configurations. The upper panels show energy profiles for rotation around the dihedral angles r and (p and for...

Figure 11.14 Green fluorescent protein (GFP) structure. P-Barrel formed by 11 P-strands that contains a 4-(p-hydroxyben lidene)imidazolidin-5-one chromophore in its centre.

Accurate calculations for excitations with DMC are possible for systems as large as free-base porphyrin and models of the green fluorescent protein chromophore. Drummond et al. investigated the electron emission from diamondoids with DMC. Using DFT orbitals in DMC, they calculated the excitation energy for the HOMO-LUMO transition (optical gap), the electron affinity, and the ionization potential for carbon clusters with diamond structure up to CgvHvs. ... 

Branchini, B. R., Lusins, J. O., and Zimmer, M. (1997). A molecular mechanics and database analysis of the structural preorganization and activation of the chromophore-containing hexapeptide fragment in green fluorescent protein. /. Biomol. Struct. Dyn. 14 441-448. 

Gross, L. A. (2000). The structure of the chromophore within DsRed a red fluorescent protein from coral. Proc. Natl. Acad. Sci. USA 22 11990-11995. 

Rosenow, M. A., Huffman, H. A., Phail, M. E., and Wachter, R. M. (2004). The crystal structure of the Y66L variant of green fluorescent protein supports a cyclization-oxidation-dehydration mechanism for chromophore maturation. Biochemistry 43 4464 1472. 

Shimomura, O. (1979). Structure of the chromophore of Aequorea green fluorescent protein. FEBS Lett. 104 220-222. 

Cody CW, Prasher DC, Westler WM, Prendergast FG, Ward WW (1993) Chemical structure of the hexapeptide chromophore of the Aequorea green-fluorescent protein. Biochemistry 32 1212-1218... 

Voityuk AA, Michel-Beyerle ME, Rosch N (1998) Structure and rotation barriers for ground and excited states of the isolated chromophore of the green fluorescent protein. Chem Phys Lett 296 269-276... 

Bublitz G, King BA, Boxer SG (1998) Electronic structure of the chromophore in green fluorescent protein (GFP). J Am Chem Soc 120 9370-9371... 

Wilmann PG, Petersen J, Pettikiriarachchi A, Buckle AM, Smith SC, Olsen S, Perugini MA, Devenish RJ, Prescott M, Rossjohn J (2005) The 2.1 angstrom crystal structure of the far-red fluorescent protein HcRed Inherent conformational flexibility of the chromophore. J Mol Biol 349 223-237... 

Tretyakova YA, Pakhomov AA, Martynov VI (2007) Chromophore structure of the kindling fluorescent protein asFP595 from Ammonia sulcata. J Am Chem Soc 129 7748-7749... 

Fig. 5.1. Ribbon diagram of a fluorescent protein (citrine, PDB entry 1HUI) crystal structure. The chromophore is buried in the protein s interior and shown in balls and sticks representation.

Ribbon drawing of the 238-residue green fluorescent protein showing the embedded chromophore as a ball-and-stick structure.1 Courtesy of S. James Remington. 

Finally, if one is interested in detecting a change in structure or extent of interaction (binding), then one may not be interested in exact estimates of k. For instance, when fluorescent proteins are used in FRET experiments, can become a very important variable, and averages are often not applicable. This situation occurs because the chromophores are fairly rigidly held in the fluorescent protein stmcture, and the fluorescent proteins may have specific interactions either with each other or with other components of the complex under study (91, 92). 

Application, structure, and related photophysical behavior of green fluorescent protein with an imidazole ring in the chromophore 02CRV759. 

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