Conditional optimization: a new formalism for protein structure refinement

S H Scheres1, P Gros

  • 1Department of Crystal and Structural Chemistry, Bijvoet Center for Biomolecular Research, Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands.

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Proteins are polymers of amino acid residues. They are versatile and responsible for different cellular functions, including DNA replication, molecular transport, catalysis, and structural support. Proteins have a hierarchical structure comprising at least three levels of organization: primary, secondary, and tertiary structure. Some large proteins have a quaternary structure where individual protein subunits are linked together.
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Protein Organization01:28

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Proteins are one of the fundamental building blocks of life that carry out many diverse functions in the cell. Proteins are assembled from amino acids. The sequence of amino acids is known as the primary structure of a protein. Local interactions of individual amino acids cause the linear chain to fold into the secondary structures. Interactions of distant amino acids lead to further folding of the protein—the tertiary structure. The assembly of multiple folded chains (subunits) is known as...
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Proteins are one of the most abundant organic molecules in living systems and have the most diverse range of functions of all macromolecules. Proteins may be structural, regulatory, contractile, or protective. They may serve in transport, storage, or membranes; or they may be toxins or enzymes. Their structures, like their functions, vary greatly. They are all, however, amino acid polymers arranged in a linear sequence.A protein's shape is critical to its function. For example, an enzyme can...