A PHP Error was encountered

Severity: Warning

Message: fopen(/var/lib/php/sessions/ci_sessionh2oma9jg0650eku4mek78bg301d943pt): Failed to open stream: No space left on device

Filename: drivers/Session_files_driver.php

Line Number: 177

Backtrace:

File: /var/www/html/index.php
Line: 316
Function: require_once

A PHP Error was encountered

Severity: Warning

Message: session_start(): Failed to read session data: user (path: /var/lib/php/sessions)

Filename: Session/Session.php

Line Number: 137

Backtrace:

File: /var/www/html/index.php
Line: 316
Function: require_once

A PHP Error was encountered

Severity: Warning

Message: file_get_contents(https://...@gmail.com&api_key=61f08fa0b96a73de8c900d749fcb997acc09): Failed to open stream: HTTP request failed! HTTP/1.1 429 Too Many Requests

Filename: helpers/my_audit_helper.php

Line Number: 143

Backtrace:

File: /var/www/html/application/helpers/my_audit_helper.php
Line: 143
Function: file_get_contents

File: /var/www/html/application/helpers/my_audit_helper.php
Line: 209
Function: simplexml_load_file_from_url

File: /var/www/html/application/helpers/my_audit_helper.php
Line: 3098
Function: getPubMedXML

File: /var/www/html/application/controllers/Detail.php
Line: 574
Function: pubMedSearch_Global

File: /var/www/html/application/controllers/Detail.php
Line: 488
Function: pubMedGetRelatedKeyword

File: /var/www/html/index.php
Line: 316
Function: require_once

A PHP Error was encountered

Severity: Warning

Message: Attempt to read property "Count" on bool

Filename: helpers/my_audit_helper.php

Line Number: 3100

Backtrace:

File: /var/www/html/application/helpers/my_audit_helper.php
Line: 3100
Function: _error_handler

File: /var/www/html/application/controllers/Detail.php
Line: 574
Function: pubMedSearch_Global

File: /var/www/html/application/controllers/Detail.php
Line: 488
Function: pubMedGetRelatedKeyword

File: /var/www/html/index.php
Line: 316
Function: require_once

Structure-based prediction of protein-nucleic acid binding using graph neural networks. | LitMetric

AI Article Synopsis

  • Protein-nucleic acid (PNA) binding is crucial for various genomic processes, but structural models of these interactions are limited compared to unbound proteins.
  • To address this, researchers developed a deep learning model called PNAbind that uses graph neural networks to predict PNA binding based on unbound protein structures, focusing on both overall binding functions and specific binding site locations.
  • The model demonstrated high accuracy in predicting binding sites with AUROC scores of 0.92-0.95 and provided insights into the binding mechanism of the HIV-1 restriction factor APOBEC3G, aligning with experimental RNA binding data.

Article Abstract

Unlabelled: Protein-nucleic acid (PNA) binding plays critical roles in the transcription, translation, regulation, and three-dimensional organization of the genome. Structural models of proteins bound to nucleic acids (NA) provide insights into the chemical, electrostatic, and geometric properties of the protein structure that give rise to NA binding but are scarce relative to models of unbound proteins. We developed a deep learning approach for predicting PNA binding given the unbound structure of a protein that we call PNAbind. Our method utilizes graph neural networks to encode the spatial distribution of physicochemical and geometric properties of protein structures that are predictive of NA binding. Using global physicochemical encodings, our models predict the overall binding function of a protein, and using local encodings, they predict the location of individual NA binding residues. Our models can discriminate between specificity for DNA or RNA binding, and we show that predictions made on computationally derived protein structures can be used to gain mechanistic understanding of chemical and structural features that determine NA recognition. Binding site predictions were validated against benchmark datasets, achieving AUROC scores in the range of 0.92-0.95. We applied our models to the HIV-1 restriction factor APOBEC3G and showed that our model predictions are consistent with and help explain experimental RNA binding data.

Supplementary Information: The online version contains supplementary material available at 10.1007/s12551-024-01201-w.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11427629PMC
http://dx.doi.org/10.1007/s12551-024-01201-wDOI Listing

Publication Analysis

Top Keywords

binding
10
protein-nucleic acid
8
graph neural
8
neural networks
8
pna binding
8
geometric properties
8
properties protein
8
protein structures
8
rna binding
8
models
5

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!