A systematic analysis of atomic protein–ligand interactions in the PDB-Reference-Cited by-同舟云学术

A systematic analysis of atomic protein–ligand interactions in the PDB

Published:2017 Issue:10 Volume:8 Page:1970-1981
ISSN:2040-2503
Container-title:MedChemComm
language:en
Short-container-title:Med. Chem. Commun.

Author:

Ferreira de Freitas Renato¹²³⁴^ORCID,Schapira Matthieu¹²³⁴⁵^ORCID

Affiliation:

1. Structural Genomics Consortium

2. University of Toronto

3. Toronto

4. Canada

5. Department of Pharmacology and Toxicology

Abstract

We compiled a list of 11 016 unique structures of small-molecule ligands bound to proteins representing 750 873 protein–ligand atomic interactions, and analyzed the frequency, geometry and the impact of each interaction type. The most frequent ligand–protein atom pairs can be clustered into seven interaction types.

Publisher

Royal Society of Chemistry (RSC)

Subject

Pharmaceutical Science,Biochemistry,Drug Discovery,Molecular Medicine,Pharmacology,Organic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/MD/C7MD00381A

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