LIGPLOT - A PROGRAM TO GENERATE SCHEMATIC DIAGRAMS OF PROTEIN LIGAND INTERACTIONS

被引:4818
作者
WALLACE, AC
LASKOWSKI, RA
THORNTON, JM
机构
[1] Biomolecular Structure and Modelling Unit, Department of Biochemistry and Molecular Biology, University College, London WC1E 6BT, Gower Street
来源
PROTEIN ENGINEERING | 1995年 / 8卷 / 02期
基金
英国生物技术与生命科学研究理事会;
关键词
ENZYME INHIBITORS; HYDROGEN BONDING; PROTEIN-LIGAND INTERACTIONS; SOFTWARE TOOLS;
D O I
10.1093/protein/8.2.127
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
The LIGPLOT program automatically generates schematic 2-D representations of protein-ligand complexes from standard Protein Data Bank file input. The output is a colour, or black-and-white, Postscript file giving a simple and informative representation of the intermolecular interactions and their strengths, including hydrogen bonds, hydrophobic interactions and atom accessibilities. The program is completely general for any ligand and can also be used to show other types of interaction in proteins and nucleic acids. It was designed to facilitate the rapid inspection of many enzyme complexes, but has found many other applications.
引用
收藏
页码:127 / 134
页数:8
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