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Retrieving backbone string neighbors provides insights into structural modeling of membrane proteins

Sun, Jiangming LU orcid ; Li, Tong Hua ; Cong, Pei Sheng ; Tang, Sheng Nan and Xiong, Wen Wei (2012) In Molecular and Cellular Proteomics 11(7).
Abstract

Identification of protein structural neighbors to a query is fundamental in structure and function prediction. Here we present BS-align, a systematic method to retrieve backbone string neighbors from primary sequences as templates for protein modeling. The backbone conformation of a protein is represented by the backbone string, as defined in Ramachandran space. The backbone string of a query can be accurately predicted by two innovative technologies: a knowledge-driven sequence alignment and encoding of a backbone string element profile. Then, the predicted backbone string is employed to align against a backbone string database and retrieve a set of backbone string neighbors. The backbone string neighbors were shown to be close to... (More)

Identification of protein structural neighbors to a query is fundamental in structure and function prediction. Here we present BS-align, a systematic method to retrieve backbone string neighbors from primary sequences as templates for protein modeling. The backbone conformation of a protein is represented by the backbone string, as defined in Ramachandran space. The backbone string of a query can be accurately predicted by two innovative technologies: a knowledge-driven sequence alignment and encoding of a backbone string element profile. Then, the predicted backbone string is employed to align against a backbone string database and retrieve a set of backbone string neighbors. The backbone string neighbors were shown to be close to native structures of query proteins. BS-align was successfully employed to predict models of 10 membrane proteins with lengths ranging between 229 and 595 residues, and whose high-resolution structural determinations were difficult to elucidate both by experiment and prediction. The obtained TM-scores and root mean square deviations of the models confirmed that the models based on the backbone string neighbors retrieved by the BS-align were very close to the native membrane structures although the query and the neighbor shared a very low sequence identity. The backbone string system represents a new road for the prediction of protein structure from sequence, and suggests that the similarity of the backbone string would be more informative than describing a protein as belonging to a fold.

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author
; ; ; and
publishing date
type
Contribution to journal
publication status
published
subject
in
Molecular and Cellular Proteomics
volume
11
issue
7
publisher
American Society for Biochemistry and Molecular Biology
external identifiers
  • pmid:22415040
  • scopus:84863806527
ISSN
1535-9476
DOI
10.1074/mcp.M111.016808
language
English
LU publication?
no
id
ff53a54c-4082-4ffd-b651-bb3aa049983a
date added to LUP
2023-04-24 15:32:03
date last changed
2024-01-05 00:47:46
@article{ff53a54c-4082-4ffd-b651-bb3aa049983a,
  abstract     = {{<p>Identification of protein structural neighbors to a query is fundamental in structure and function prediction. Here we present BS-align, a systematic method to retrieve backbone string neighbors from primary sequences as templates for protein modeling. The backbone conformation of a protein is represented by the backbone string, as defined in Ramachandran space. The backbone string of a query can be accurately predicted by two innovative technologies: a knowledge-driven sequence alignment and encoding of a backbone string element profile. Then, the predicted backbone string is employed to align against a backbone string database and retrieve a set of backbone string neighbors. The backbone string neighbors were shown to be close to native structures of query proteins. BS-align was successfully employed to predict models of 10 membrane proteins with lengths ranging between 229 and 595 residues, and whose high-resolution structural determinations were difficult to elucidate both by experiment and prediction. The obtained TM-scores and root mean square deviations of the models confirmed that the models based on the backbone string neighbors retrieved by the BS-align were very close to the native membrane structures although the query and the neighbor shared a very low sequence identity. The backbone string system represents a new road for the prediction of protein structure from sequence, and suggests that the similarity of the backbone string would be more informative than describing a protein as belonging to a fold.</p>}},
  author       = {{Sun, Jiangming and Li, Tong Hua and Cong, Pei Sheng and Tang, Sheng Nan and Xiong, Wen Wei}},
  issn         = {{1535-9476}},
  language     = {{eng}},
  number       = {{7}},
  publisher    = {{American Society for Biochemistry and Molecular Biology}},
  series       = {{Molecular and Cellular Proteomics}},
  title        = {{Retrieving backbone string neighbors provides insights into structural modeling of membrane proteins}},
  url          = {{http://dx.doi.org/10.1074/mcp.M111.016808}},
  doi          = {{10.1074/mcp.M111.016808}},
  volume       = {{11}},
  year         = {{2012}},
}