Design of a Novel Globular Protein Fold with Atomic-Level Accuracy

Science

Volumn 302, Issue 5649, 2003, Pages 1364-1368

  Kuhlman, Brian ^a,d   Dantas, Gautam ^a   Ireton, Gregory C ^c   Varani, Gabriele ^a,b   Stoddard, Barry L ^c   Baker, David ^a,b  

^a UNIVERSITY OF WASHINGTON SCHOOL OF MEDICINE   (United States)

^b UNIVERSITY OF WASHINGTON   (United States)

^c Fred Hutchinson Cancer Research Center   (United States)

^d UNIVERSITY OF NORTH CAROLINA SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CRYSTAL STRUCTURE; ITERATIVE METHODS; TOPOLOGY; X RAY ANALYSIS;

STRUCTURE PREDICTION;

PROTEINS;

GLOBULAR PROTEIN; PROTEIN; PROTEIN SUBUNIT; TOP 7 PROTEIN; UNCLASSIFIED DRUG;

DESIGN; PROTEIN;

ACCURACY; AMINO ACID SEQUENCE; ARTICLE; ATOMIC PARTICLE; CALCULATION; CRYSTAL STRUCTURE; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN FOLDING; PROTEIN LOCALIZATION; PROTEIN STABILITY; PROTEIN STRUCTURE; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; AMINO ACID SEQUENCE; CIRCULAR DICHROISM; COMPUTATIONAL BIOLOGY; COMPUTER GRAPHICS; COMPUTER SIMULATION; CRYSTALLIZATION; CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; MONTE CARLO METHOD; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEIN CONFORMATION; PROTEIN DENATURATION; PROTEIN ENGINEERING; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; PROTEINS; SOFTWARE; SOLUBILITY; TEMPERATURE; THERMODYNAMICS;

EID: 0345306764     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science.1089427     Document Type: Article

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44. We acknowledge the expert assistance of B. Shen in crystallographic phasing, modeling, and refinement of the TOP7 structure, C. Rohl for aiding in the incorporation of RosettaDesign into Rosetta, C. Strauss for helping to generate the initial models of Top7, T. Leeper for help with two-dimensional NMR studies, and R. Klevit and the Klevit laboratory for help with preliminary NMR characterization of Top7. Academic users can obtain licensing information for RosettaDesign at www.unc.edu/ kuhlmanpg/rosettadesign.htm. The coordinates and structure factors for the Top7 x-ray crystal structure have been deposited in the PDB with accession code 1QYS. B.K. was supported by a fellowship from the Cancer Research Fund of the Damon Runyon-Walter Winchell Foundation. This work was also supported by NIH grants to G.V., B.L.S., and D.B.