General information of database
info Alternative name Pocket Similarity Search using Multiple-Sketches
info Creator
Creator Name:
Kentaro Tomii*
Link to J-GLOBAL
Link to researchmap
Creator Affiliation:
Tokyo Waterfront, the National Institute of Advanced Industrial Science and Technology (AIST)
info Contact address 2-4-7 Aomi, Koto-ku, Tokyo, 135-0064 Japan
National Institute of Advanced Industrial Science and Technology (AIST)
Kentaro TOMII, PhD
info Database classification Structure Databases - Small molecules
info Database description PoSSuM is a database for detecting similar small-molecule binding sites on proteins. We have provided a service named PoSSuM drug search, in which we selected 194 approved drug compounds retrieved from ChEMBL, and detected their known binding pockets and pockets that are similar to them.
info Features and manner of utilization of database -
info License -
info Background and funding Japan Society for the Promotion of Science (JSPS) [KAKENHI 23500374]; Grants-in-Aid for Scientific Research [25430186 and 25293079]; Platform for Drug Discovery, Informatics, and Structural Life Science from the Ministry of Education, Culture, Sports, Science and Technology, Japan; Grants-in-Aid for Scientific Research from the Ministry of Health, Labour and Welfare
info Reference(s)
Article title:
PoSSuM v.2.0: data update and a new function for investigating ligand analogs and target proteins of small-molecule drugs.
Author name(s):
Ito J, Ikeda K, Yamada K, Mizuguchi K, Tomii K.
Journal:
Nucleic Acids Res. DB issue 2015;43:D392-8.
Article title:
PoSSuM: a database of similar protein-ligand binding and putative pockets.
Author name(s):
Ito J, Tabei Y, Shimizu K, Tsuda K, Tomii K.
Journal:
Nucleic Acids Res. DB issue 2012;40:D541-8.
Article title:
PDB-Scale analysis of known and putative ligand binding sites with structural sketches.
Author name(s):
Ito J, Tabei Y, Shimizu K, Tomii K, Tsuda K.
Journal:
Proteins 2011;80:747-63.
Article title:
Single Versus Multiple Sorting for All Pairs Similarity Search.
Author name(s):
Tabei Y, Uno T, Sugiyama M, Tsuda K.
Journal:
The 2nd Asian Conference on Machine Learning (ACML2010) 2010.
Original website information
info Operation start date 2011年11月01日
info Last update date 2014年10月15日
info URL of the portal site -
info Whole data download -
info Referenced database PDB, UniProt, ChEMBL, EC, CATH, SCOPe, GO
info Entry list Available
info Query search Available
info Web services Not available
info URL of Web services -
info Need for user registration Not available