3T43

Crystal Structure of HIV Epitope-Scaffold 4E10_1XIZA_S0_006_C

Summary for 3T43

• Entry DOI: 10.2210/pdb3t43/pdb
• Descriptor: HIV Epitope-Scaffold 4E10_1XIZA_S0_006_C (2 entities in total)
• Functional Keywords: putative phosphotransferase system, transferase
• Biological source: artificial gene
• Total number of polymer chains: 2
• Total formula weight: 36507.32

Authors

Holmes, M.A.,Strong, R.K. (deposition date: 2011-07-25, release date: 2011-10-26, Last modification date: 2023-09-13)

Primary citation

Correia, B.E.,Holmes, M.A.,Huang, P.S.,Strong, R.K.,Schief, W.R.
High-resolution structure prediction of a circular permutation loop.
Protein Sci., 20:1929-1934, 2011

PubMed Abstract: Methods for rapid and reliable design and structure prediction of linker loops would facilitate a variety of protein engineering applications. Circular permutation, in which the existing termini of a protein are linked by the polypeptide chain and new termini are created, is one such application that has been employed for decreasing proteolytic susceptibility and other functional purposes. The length and sequence of the linker can impact the expression level, solubility, structure and function of the permuted variants. Hence it is desirable to achieve atomic-level accuracy in linker design. Here, we describe the use of RosettaRemodel for design and structure prediction of circular permutation linkers on a model protein. A crystal structure of one of the permuted variants confirmed the accuracy of the computational prediction, where the all-atom rmsd of the linker region was 0.89 Å between the model and the crystal structure. This result suggests that RosettaRemodel may be generally useful for the design and structure prediction of protein loop regions for circular permutations or other structure-function manipulations.

PubMed: 21898647
DOI: 10.1002/pro.725

Experimental method

X-RAY DIFFRACTION (1.95 Å)