SITEHOUND-web: a server for ligand binding site identification in protein structures

被引：163

作者：

Hernandez, Marylens ^{[1
]}

Ghersi, Dario ^{[1
]}

Sanchez, Roberto ^{[1
]}

机构：

[1] Mt Sinai Sch Med, Dept Struct & Chem Biol, New York, NY 10029 USA

来源：

NUCLEIC ACIDS RESEARCH | 2009年 / 37卷

基金：

美国国家科学基金会; 美国国家卫生研究院;

关键词：

FUNCTIONALLY IMPORTANT RESIDUES; DOCKING; PREDICTION;

D O I：

10.1093/nar/gkp281

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：

SITEHOUND-web (http://sitehound.sanchezlab.org) is a binding-site identification server powered by the SITEHOUND program. Given a protein structure in PDB format SITEHOUND-web will identify regions of the protein characterized by favorable interactions with a probe molecule. These regions correspond to putative ligand binding sites. Depending on the probe used in the calculation, sites with preference for different ligands will be identified. Currently, a carbon probe for identification of binding sites for drug-like molecules, and a phosphate probe for phosphorylated ligands (ATP, phoshopeptides, etc.)have been implemented. SITEHOUND web will display the results in HTML pages including an interactive 3D representation of the protein structure and the putative sites using the Jmol java applet. Various downloadable data files are also provided for offline data analysis.

引用

页码：W413 / W416

页数：4

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