Database Commons

a catalog of biological databases

e.g., animal; RNA; Methylation; China

Database Profile

General information

URL: http://kanaya.naist.jp/knapsack3d/
Full name: KNApSAcK-3D
Description: KNApSAcK-3D contains the three-dimensional (3D) structures of all of the metabolic compounds included in the original KNApSAcK database.
Year founded: 2012
Last update: 2013-01-03
Version: v1.0
Accessibility:
Manual:
Accessible
Real time : Checking...
Country/Region: Japan
Data type:
Data object:
Database category:
Major organism:
Keywords:

Contact information

University/Institution: Maebashi Institute of Technology
Address: 460-1 Kamisadori-machi, Maebashi-City, Gunma, Japan
City: Maebashi-City
Province/State:
Country/Region: Japan
Contact name (PI/Team): Shigehiko Kanaya
Contact email (PI/Helpdesk): skanaya@gtc.naist.jp

Publications

23292603
KNApSAcK-3D: a three-dimensional structure database of plant metabolites. [PMID: 23292603]
Nakamura K, Shimura N, Otabe Y, Hirai-Morita A, Nakamura Y, Ono N, Ul-Amin MA, Kanaya S.

Studies on plant metabolites have attracted significant attention in recent years. Over the past 8 years, we have constructed a unique metabolite database, called KNApSAcK, that contains information on the relationships between metabolites and their expressing organism(s). In the present paper, we introduce KNApSAcK-3D, which contains the three-dimensional (3D) structures of all of the metabolic compounds included in the original KNApSAcK database. The 3D structure for each compound was optimized using the Merck Molecular Force Field (MMFF94), and a multiobjective genetic algorithm was used to search extensively for possible conformations and locate the global minimum. The resulting set of structures may be used for docking studies to identify new and potentially unexpected binding sites for target proteins. The 3D structures may also be utilized for more qualitative studies, such as the estimation of biological activities using 3D-QSAR. The database can be accessed via a link from the KNApSAcK Family website (http://kanaya.naist.jp/KNApSAcK_Family/) or directory at http://kanaya.naist.jp/knapsack3d/.

Plant Cell Physiol. 2013:54(2) | 14 Citations (from Europe PMC, 2021-06-19)

Ranking

All databases:
2896/5061 (42.798%)
Pathway:
181/349 (48.424%)
Structure:
388/700 (44.714%)
2896
Total Rank
14
Citations
1.75
z-index

Community reviews

Not Rated
Data quality & quantity:
Content organization & presentation
System accessibility & reliability:

Word cloud

Record metadata

Created on: 2015-06-30
Curated by:
Chunlei Yu [2016-04-17]
Chunlei Yu [2016-03-31]
Chunlei Yu [2015-11-20]
Jian Sang [2015-06-30]