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Title: dbAMEPNI: a database of alanine mutagenic effects for protein–nucleic acid interactions

Abstract

Protein–nucleic acid interactions play essential roles in various biological activities such as gene regulation, transcription, DNA repair and DNA packaging. Understanding the effects of amino acid substitutions on protein–nucleic acid binding affinities can help elucidate the molecular mechanism of protein–nucleic acid recognition. Until now, no comprehensive and updated database of quantitative binding data on alanine mutagenic effects for protein–nucleic acid interactions is publicly accessible. Thus, we developed a new database of Alanine Mutagenic Effects for Protein-Nucleic Acid Interactions (dbAMEPNI). dbAMEPNI is a manually curated, literature-derived database, comprising over 577 alanine mutagenic data with experimentally determined binding affinities for protein–nucleic acid complexes. Here, it contains several important parameters, such as dissociation constant (Kd), Gibbs free energy change (ΔΔG), experimental conditions and structural parameters of mutant residues. In addition, the database provides an extended dataset of 282 single alanine mutations with only qualitative data (or descriptive effects) of thermodynamic information.

Authors:
 [1];  [2];  [3];  [2];  [4];  [1]
  1. Anhui Univ., Hefei, Anhui (China). School of Life Sciences
  2. Shanghai Jiao Tong Univ. (China). State Key Lab. of Microbial Metabolism and School of Life Sciences and Biotechnology
  3. Dalian Univ., Dalian, Liaoning (China). Information and Engineering College
  4. Univ. of Wisconsin, Madison, WI (United States). Dept. of Biochemistry; Univ. of Wisconsin, Madison, WI (United States). Dept. of Mathematics; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biosciences Division
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE; National Natural Science Foundation of China (NSFC)
OSTI Identifier:
1435258
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Database
Additional Journal Information:
Journal Volume: 2018; Journal Issue: 1; Related Information: See also https://academic.oup.com/database/article/doi/10.1093/database/bay034/4959188; Journal ID: ISSN 1758-0463
Publisher:
Oxford University Press
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES

Citation Formats

Liu, Ling, Xiong, Yi, Gao, Hongyun, Wei, Dong-Qing, Mitchell, Julie C., and Zhu, Xiaolei. dbAMEPNI: a database of alanine mutagenic effects for protein–nucleic acid interactions. United States: N. p., 2018. Web. doi:10.1093/database/bay034.
Liu, Ling, Xiong, Yi, Gao, Hongyun, Wei, Dong-Qing, Mitchell, Julie C., & Zhu, Xiaolei. dbAMEPNI: a database of alanine mutagenic effects for protein–nucleic acid interactions. United States. https://doi.org/10.1093/database/bay034
Liu, Ling, Xiong, Yi, Gao, Hongyun, Wei, Dong-Qing, Mitchell, Julie C., and Zhu, Xiaolei. Mon . "dbAMEPNI: a database of alanine mutagenic effects for protein–nucleic acid interactions". United States. https://doi.org/10.1093/database/bay034. https://www.osti.gov/servlets/purl/1435258.
@article{osti_1435258,
title = {dbAMEPNI: a database of alanine mutagenic effects for protein–nucleic acid interactions},
author = {Liu, Ling and Xiong, Yi and Gao, Hongyun and Wei, Dong-Qing and Mitchell, Julie C. and Zhu, Xiaolei},
abstractNote = {Protein–nucleic acid interactions play essential roles in various biological activities such as gene regulation, transcription, DNA repair and DNA packaging. Understanding the effects of amino acid substitutions on protein–nucleic acid binding affinities can help elucidate the molecular mechanism of protein–nucleic acid recognition. Until now, no comprehensive and updated database of quantitative binding data on alanine mutagenic effects for protein–nucleic acid interactions is publicly accessible. Thus, we developed a new database of Alanine Mutagenic Effects for Protein-Nucleic Acid Interactions (dbAMEPNI). dbAMEPNI is a manually curated, literature-derived database, comprising over 577 alanine mutagenic data with experimentally determined binding affinities for protein–nucleic acid complexes. Here, it contains several important parameters, such as dissociation constant (Kd), Gibbs free energy change (ΔΔG), experimental conditions and structural parameters of mutant residues. In addition, the database provides an extended dataset of 282 single alanine mutations with only qualitative data (or descriptive effects) of thermodynamic information.},
doi = {10.1093/database/bay034},
journal = {Database},
number = 1,
volume = 2018,
place = {United States},
year = {Mon Apr 02 00:00:00 EDT 2018},
month = {Mon Apr 02 00:00:00 EDT 2018}
}

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Works referenced in this record:

mCSM: predicting the effects of mutations in proteins using graph-based signatures
journal, November 2013


ProTherm and ProNIT: thermodynamic databases for proteins and protein-nucleic acid interactions
journal, January 2006


Hot spots-A review of the protein-protein interface determinant amino-acid residues
journal, June 2007

  • Moreira, Irina S.; Fernandes, Pedro A.; Ramos, Maria J.
  • Proteins: Structure, Function, and Bioinformatics, Vol. 68, Issue 4
  • DOI: 10.1002/prot.21396

mCSM–NA: predicting the effects of mutations on protein–nucleic acids interactions
journal, April 2017

  • Pires, Douglas E. V.; Ascher, David B.
  • Nucleic Acids Research, Vol. 45, Issue W1
  • DOI: 10.1093/nar/gkx236

Hot spots in protein–protein interfaces: Towards drug discovery
journal, November 2014


An updated version of NPIDB includes new classifications of DNA–protein complexes and their families
journal, December 2015

  • Zanegina, Olga; Kirsanov, Dmitriy; Baulin, Eugene
  • Nucleic Acids Research, Vol. 44, Issue D1
  • DOI: 10.1093/nar/gkv1339

Probing binding hot spots at protein–RNA recognition sites
journal, September 2015

  • Barik, Amita; Nithin, Chandran; Karampudi, Naga Bhushana Rao
  • Nucleic Acids Research, Vol. 44, Issue 2
  • DOI: 10.1093/nar/gkv876

Anatomy of hot spots in protein interfaces
journal, July 1998

  • Bogan, Andrew A.; Thorn, Kurt S.
  • Journal of Molecular Biology, Vol. 280, Issue 1
  • DOI: 10.1006/jmbi.1998.1843

Dictionary of protein secondary structure: Pattern recognition of hydrogen-bonded and geometrical features
journal, December 1983


The Nucleic Acid Database: new features and capabilities
journal, October 2013

  • Coimbatore Narayanan, Buvaneswari; Westbrook, John; Ghosh, Saheli
  • Nucleic Acids Research, Vol. 42, Issue D1
  • DOI: 10.1093/nar/gkt980

BIPA: a database for protein–nucleic acid interaction in 3D structures
journal, April 2009


A hot spot of binding energy in a hormone-receptor interface
journal, January 1995


Solvent Accessible Surface Area-Based Hot-Spot Detection Methods for Protein–Protein and Protein–Nucleic Acid Interfaces
journal, April 2015

  • Munteanu, Cristian R.; Pimenta, António C.; Fernandez-Lozano, Carlos
  • Journal of Chemical Information and Modeling, Vol. 55, Issue 5
  • DOI: 10.1021/ci500760m

Thermodynamic database for protein-nucleic acid interactions (ProNIT)
journal, November 2001


Computational Alanine Scanning Mutagenesis—An Improved Methodological Approach for Protein–DNA Complexes
journal, August 2013

  • Ramos, Rui M.; Moreira, Irina S.
  • Journal of Chemical Theory and Computation, Vol. 9, Issue 9
  • DOI: 10.1021/ct400387r

A series of PDB-related databanks for everyday needs
journal, October 2014

  • Touw, Wouter G.; Baakman, Coos; Black, Jon
  • Nucleic Acids Research, Vol. 43, Issue D1
  • DOI: 10.1093/nar/gku1028

Positioning hydrogen atoms by optimizing hydrogen-bond networks in protein structures
journal, December 1996


mCSM–NA: predicting the effects of mutations on protein–nucleic acids interactions
text, January 2017

  • Pires, Dev; Ascher, David
  • Apollo - University of Cambridge Repository
  • DOI: 10.17863/cam.11007

Dictionary of protein secondary structure: Pattern recognition of hydrogen-bonded and geometrical features
journal, December 1983


Hot spots-A review of the protein-protein interface determinant amino-acid residues
journal, June 2007

  • Moreira, Irina S.; Fernandes, Pedro A.; Ramos, Maria J.
  • Proteins: Structure, Function, and Bioinformatics, Vol. 68, Issue 4
  • DOI: 10.1002/prot.21396

Anatomy of hot spots in protein interfaces
journal, July 1998

  • Bogan, Andrew A.; Thorn, Kurt S.
  • Journal of Molecular Biology, Vol. 280, Issue 1
  • DOI: 10.1006/jmbi.1998.1843

Hot spots in protein–protein interfaces: Towards drug discovery
journal, November 2014


Solvent Accessible Surface Area-Based Hot-Spot Detection Methods for Protein–Protein and Protein–Nucleic Acid Interfaces
journal, April 2015

  • Munteanu, Cristian R.; Pimenta, António C.; Fernandez-Lozano, Carlos
  • Journal of Chemical Information and Modeling, Vol. 55, Issue 5
  • DOI: 10.1021/ci500760m

Computational Alanine Scanning Mutagenesis—An Improved Methodological Approach for Protein–DNA Complexes
journal, August 2013

  • Ramos, Rui M.; Moreira, Irina S.
  • Journal of Chemical Theory and Computation, Vol. 9, Issue 9
  • DOI: 10.1021/ct400387r

Thermodynamic database for protein-nucleic acid interactions (ProNIT)
journal, November 2001


BIPA: a database for protein–nucleic acid interaction in 3D structures
journal, April 2009


ProTherm and ProNIT: thermodynamic databases for proteins and protein-nucleic acid interactions
journal, January 2006


A series of PDB-related databanks for everyday needs
journal, October 2014

  • Touw, Wouter G.; Baakman, Coos; Black, Jon
  • Nucleic Acids Research, Vol. 43, Issue D1
  • DOI: 10.1093/nar/gku1028

An updated version of NPIDB includes new classifications of DNA–protein complexes and their families
journal, December 2015

  • Zanegina, Olga; Kirsanov, Dmitriy; Baulin, Eugene
  • Nucleic Acids Research, Vol. 44, Issue D1
  • DOI: 10.1093/nar/gkv1339

Probing binding hot spots at protein–RNA recognition sites
journal, September 2015

  • Barik, Amita; Nithin, Chandran; Karampudi, Naga Bhushana Rao
  • Nucleic Acids Research, Vol. 44, Issue 2
  • DOI: 10.1093/nar/gkv876

A hot spot of binding energy in a hormone-receptor interface
journal, January 1995


Works referencing / citing this record:

A structure-based model for the prediction of protein–RNA binding affinity
journal, August 2019

  • Nithin, Chandran; Mukherjee, Sunandan; Bahadur, Ranjit Prasad
  • RNA, Vol. 25, Issue 12
  • DOI: 10.1261/rna.071779.119

Bioinformatics Tools and Benchmarks for Computational Docking and 3D Structure Prediction of RNA-Protein Complexes
journal, August 2018

  • Nithin, Chandran; Ghosh, Pritha; Bujnicki, Janusz
  • Genes, Vol. 9, Issue 9
  • DOI: 10.3390/genes9090432

Analyses on clustering of the conserved residues at protein-RNA interfaces and its application in binding site identification
journal, February 2020