dbHDPLS: A database of human disease-related protein-ligand structures
Institution:
1. School of Electrical and Information Engineering, Anhui University of Technology, 243032 Ma’anshan, Anhui, China;2. Institutes of Physical Science and Information Technology, Anhui University, 230601 Hefei, Anhui, China;1. College of Water Resources and Architectural Engineering, Northwest A&F University, Yangling 712100, China;2. State Key Laboratory of Structural Analysis for Industrial Equipment, Department of Engineering Mechanics, Faculty of Vehicle Engineering and Mechanics, Dalian University of Technology, Dalian 116024, China;3. Department of Civil & Environmental Engineering, University of Missouri, Columbia, MO 65211-2200, USA;1. Institute of Advanced Computational Science and Technology, Guangzhou University, Guangzhou, Guangdong 510006, China;2. State Key Laboratory of Bioelectronics, School of Biological Sciences and Medical Engineering, Southeast University, Nanjing, Jiangsu 210096, China;1. Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544-5263, USA;2. Program in Applied and Computational Mathematics, Princeton University, Princeton, NJ 08544-1000, USA;3. Andlinger Center for Energy and the Environment, Princeton University, Princeton, NJ 08544-5263, USA;1. Applied Science College, Harbin University of Science and Technology, Harbin 150080, China;2. School of Materials Science and Engineering, Harbin University of Science and Technology, Harbin 150040, China;3. Department of the Applied Chemistry, Harbin Institute of Technology, Harbin 150001, China
Abstract:
Protein-ligand complexes perform specific functions, most of which are related to human diseases. The database, called as human disease-related protein-ligand structures (dbHDPLS), collected 8833 structures which were extracted from protein data bank (PDB) and other related databases. The database is annotated with comprehensive information involving ligands and drugs, related human diseases and protein-ligand interaction information, with the information of protein structures. The database may be a reliable resource for structure-based drug target discoveries and druggability predictions of protein-ligand binding sites, drug-disease relationships based on protein-ligand complex structures. It can be publicly accessed at the website: http://DeepLearner.ahu.edu.cn/web/dbDPLS/.
