Target highlights in CASP9: Experimental target structures for the critical assessment of techniques for protein structure prediction

被引:16
作者
Kryshtafovych, Andriy [2 ]
Moult, John [3 ]
Bartual, Sergio G. [4 ,5 ]
Bazan, J. Fernando [6 ,23 ]
Berman, Helen [7 ]
Casteel, Darren E. [8 ]
Christodoulou, Evangelos [9 ]
Everett, John K. [10 ,11 ]
Hausmann, Jens [9 ]
Heidebrecht, Tatjana [9 ]
Hills, Tanya [12 ]
Hui, Raymond [12 ]
Hunt, John F. [13 ]
Seetharaman, Jayaraman [13 ]
Joachimiak, Andrzej [14 ,15 ,16 ]
Kennedy, Michael A. [17 ]
Kim, Choel [18 ]
Lingel, Andreas [6 ,23 ]
Michalska, Karolina [14 ]
Montelione, Gaetano T. [19 ,20 ,21 ]
Otero, Jose M. [5 ]
Perrakis, Anastassis [9 ]
Pizarro, Juan C. [12 ]
van Raaij, Mark J. [5 ,22 ]
Ramelot, Theresa A. [17 ]
Rousseau, Francois [6 ,23 ]
Tong, Liang [13 ]
Wernimont, Amy K. [12 ]
Young, Jasmine [7 ]
Schwede, Torsten [1 ]
机构
[1] Univ Basel, Biozentrum, SIB Swiss Inst Bioinformat, CH-4056 Basel, Switzerland
[2] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA
[3] Univ Maryland, Inst Biosci & Biotechnol Res, Dept Cell Biol & Mol Genet, Rockville, MD 20850 USA
[4] CSIC, Dept Cristalog & Biol Estruct, Inst Quim Fis Rocasolano, E-28006 Madrid, Spain
[5] Univ Santiago de Compostela, Dept Bioquim & Biol Mol, Fac Farm, E-15782 Santiago De Compostela, Spain
[6] Genentech Inc, Dept Prot Engn, San Francisco, CA 94080 USA
[7] Rutgers State Univ, RCSB PDB, Piscataway, NJ 08854 USA
[8] Univ Calif San Diego, Dept Med, La Jolla, CA 92093 USA
[9] NKI, Dept Biochem, NL-1066 CX Amsterdam, Netherlands
[10] Rutgers State Univ, Ctr Adv Biotechnol & Med, Dept Mol Biol & Biochem, Piscataway, NJ 08854 USA
[11] Rutgers State Univ, NE Struct Genom Consortium NESG, Piscataway, NJ 08854 USA
[12] MaRS Ctr, SGC, Toronto, ON M5G 1L7, Canada
[13] Columbia Univ, Dept Biol Sci, NE Struct Genom Consortium NESG, New York, NY 10027 USA
[14] Argonne Natl Lab, MCSG, Biosci Div, Argonne, IL 60439 USA
[15] Argonne Natl Lab, Struct Biol Ctr, Biosci Div, Argonne, IL 60439 USA
[16] Univ Chicago, Dept Biochem & Mol Biol, Chicago, IL 60637 USA
[17] Miami Univ, Dept Chem & Biochem, NE Struct Genom Consortium NESG, Oxford, OH 45056 USA
[18] Baylor Coll Med, Dept Pharmacol, Verna & Marrs McLean Dept Biochem & Mol Biol, Houston, TX 77030 USA
[19] Rutgers State Univ, Robert Wood Johnson Med Sch, Piscataway, NJ 08854 USA
[20] Rutgers State Univ, NE Struct Genom Consortium NESG, Ctr Adv Biotechnol & Med, Piscataway, NJ 08854 USA
[21] Rutgers State Univ, Dept Mol Biol & Biochem, Piscataway, NJ 08854 USA
[22] CSIC, Dept Estructura Macromol, Ctr Nacl Biotecnol, E-28049 Madrid, Spain
[23] Genentech Inc, Dept Biol Struct, San Francisco, CA 94080 USA
基金
美国国家科学基金会; 美国国家卫生研究院;
关键词
CASP; protein structure; X-ray crystal-lography; NMR; structure prediction; LONG TAIL-FIBER; KINASE-I-BETA; LYSOPHOSPHATIDIC ACID; LYSOPHOSPHOLIPASE-D; CRYSTAL-STRUCTURE; BINDING DOMAIN; BASE J; BACTERIOPHAGE-T4; AUTOTAXIN; REVEALS;
D O I
10.1002/prot.23196
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
One goal of the CASP community wide experiment on the critical assessment of techniques for protein structure prediction is to identify the current state of the art in protein structure prediction and modeling. A fundamental principle of CASP is blind prediction on a set of relevant protein targets, that is, the participating computational methods are tested on a common set of experimental target proteins, for which the experimental structures are not known at the time of modeling. Therefore, the CASP experiment would not have been possible without broad support of the experimental protein structural biology community. In this article, several experimental groups discuss the structures of the proteins which they provided as prediction targets for CASP9, highlighting structural and functional peculiarities of these structures: the long tail fiber protein gp37 from bacteriophage T4, the cyclic GMP-dependent protein kinase I beta dimerization/docking domain, the ectodomain of the JTB (jumping translocation breakpoint) transmembrane receptor, Autotaxin in complex with an inhibitor, the DNA-binding J-binding protein 1 domain essential for biosynthesis and maintenance of DNA base-J (beta-D-glucosyl-hydroxymethyluracil) in Trypanosoma and Leishmania, an so far uncharacterized 73 residue domain from Ruminococcus gnavus with a fold typical for PDZ-like domains, a domain from the phycobilisome core-membrane linker phycobiliprotein ApcE from Synechocystis, the heat shock protein 90 activators PFC0360w and PFC0270w from Plasmodium falciparum, and 2-oxo-3-deoxygalactonate kinase from Klebsiella pneumoniae. Proteins 2011; 79(Suppl 10):6-20. (C) 2011 Wiley-Liss, Inc.
引用
收藏
页码:6 / 20
页数:15
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