Journal ArticleDOI
HERA—A program to draw schematic diagrams of protein secondary structures
Hutchinson Eg,Janet M. Thornton +1 more
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TLDR
The usefulness of the program is illustrated by several examples including comparing homologous families, correlating protein structure with attributes of individual residues, and extracting all examples of the ψ‐loop motif from the Brookhaven Data Bank.Abstract:
A program is described which generates hydrogen bonding diagrams of protein structures and optionally helical wheels and helical nets. The program can also be used simply to calculate the connectivities of β-strands and to automatically extract simple structural motifs such as hairpins or Greek keys. The program greatly reduces the effort required to produce these diagrams and offers considerable flexibility in the information which can be represented. The usefulness of the program is illustrated by several examples including comparing homologous families, correlating protein structure with attributes of individual residues, and extracting all examples of the ψ-loop motif from the Brookhaven Data Bank.read more
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Journal ArticleDOI
CATH – a hierarchic classification of protein domain structures
Christine A. Orengo,A.D. Michie,Susan Jones,David T. Jones,Mark B. Swindells,Janet M. Thornton +5 more
TL;DR: Analysis of the structural families generated by CATH reveals the prominent features of protein structure space and a database of well-characterised protein structure families will facilitate the assignment of structure-function/evolution relationships to both known and newly determined protein structures.
Journal ArticleDOI
Influence of proline residues on protein conformation
TL;DR: An analysis has been made of all proline residues and their local conformations extracted from the Brookhaven Protein Data bank to highlight the unique role of proline in determining local conformation.
Journal ArticleDOI
PROMOTIF--a program to identify and analyze structural motifs in proteins.
E G Hutchinson,Janet M. Thornton +1 more
TL;DR: A suite of programs, PROMOTIF, that analyzes a protein coordinate file and provides details about the structural motifs in the protein, and can also be used to compare motifS in a group of related structures, such as an ensemble of NMR structures.
Journal ArticleDOI
PDBsum: Structural summaries of PDB entries
TL;DR: PDBsum is a web server providing structural information on the entries in the Protein Data Bank, primarily image‐based and include protein secondary structure, protein‐ligand and protein‐DNA interactions, PROCHECK analyses of structural quality, and many others.
Journal ArticleDOI
PDBsum new things.
TL;DR: PDBsum provides summary information about each experimentally determined structural model in the Protein Data Bank, including figures from the structure's key reference, citation data, Pfam domain diagrams, topology diagrams and protein–protein interactions.
References
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Journal ArticleDOI
Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features
Wolfgang Kabsch,Chris Sander +1 more
TL;DR: A set of simple and physically motivated criteria for secondary structure, programmed as a pattern‐recognition process of hydrogen‐bonded and geometrical features extracted from x‐ray coordinates is developed.
Journal ArticleDOI
The Protein Data Bank: a computer-based archival file for macromolecular structures.
Frances C. Bernstein,Thomas F. Koetzle,Graheme J. B. Williams,Edgar F. Meyer,Michael D. Brice,John R. Rodgers,O. Kennard,Takehiko Shimanouchi,Mitsuo Tasumi +8 more
TL;DR: The Protein Data Bank is a computer-based archival file for macromolecular structures that stores in a uniform format atomic co-ordinates and partial bond connectivities, as derived from crystallographic studies.
Journal ArticleDOI
Analysis of the accuracy and implications of simple methods for predicting the secondary structure of globular proteins.
TL;DR: The algorithm is shown to be at least as good as, and usually superior to, the reported prediction methods assessed in the same way and the implication in protein folding is discussed.
Book ChapterDOI
The anatomy and taxonomy of protein structure.
TL;DR: This chapter investigates the anatomy and taxonomy of protein structures, based on the results of three-dimensional X-ray crystallography of globular proteins.
Journal ArticleDOI
Structure of the haemagglutinin membrane glycoprotein of influenza virus at 3 A resolution.
TL;DR: The haemagglutinin glycoprotein of influenza virus is a trimer comprising two structurally distinct regions: a triple-stranded coiled-coil of α-helices extends 76 Å from the membrane and a globular region of antiparallel β-sheet is positioned on top of this stem.
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Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features
Wolfgang Kabsch,Chris Sander +1 more