| Pocketome | | Pocketome | | http://www.pocketome.org/ | | March 15th, 2017 | The Pocketome is an encyclopedia of conformational ensembles of all druggable binding sites in protein-ligand interactions that can be identified experimentally from co-crystal structures in the Protein Data Bank. Each Pocketome entry corresponds to a small molecule binding site in a protein that:
- has an entry in the reviewed part of the UniProt Knowledgebase,
- has been co-crystallized in complex with at least one drug-like small molecule,
- is represented in at least two PDB entries.
| | | | Secondary | | Free to all users | Pocketome via comprehensive identification and classification of ligand binding envelopes.
An J, Totrov M, Abagyan R.
Mol Cell Proteomics. 2005 Jun;4(6):752-61.
New method for the assessment of all drug-like pockets across a structural genome.
Nicola G, Smith CA, Abagyan R.
J Comput Biol. 2008 Apr;15(3):231-40.
The flexible pocketome engine for structural chemogenomics.
Abagyan R, Kufareva I.
Methods Mol Biol. 2009;575:249-79.
Pocketome: an encyclopedia of small-molecule binding sites in 4D.
Kufareva I, Ilatovskiy AV, Abagyan R.
Nucleic Acids Res. 2012 Jan;40(Database issue):D535-40.
| | Protein-Compound Interactions | | | Interactions / Reactions: | 2,896 | | Last Content Update: | December 5th, 2016 |
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