Bioinformatics
Protein Structure Prediction
South China University of Technology
School of BioScience & BioEngineering
孟志忠
zzmeng@
2017
Protein Structure
One of the major goals of protein
sequence analysis is to understand the
relationship between amino acid sequence
and three-dimensional structure in
proteins.
Protein Structure
If this relationship were known, the
structure of a protein could be reliably
predicted from the amino acid sequence.
Unfortunately, the relationship between
sequence and structure is not that simple.
Why protein structure?
In the factory of living cells, proteins are
the workers, performing a variety of
biological tasks.
Each protein has a particular 3-D
structure that determines its function.
Protein structure is more conserved than
protein sequence, and more closely
related to function.
Structural information
Protein Data Bank:(RCSB)
/pdb/
Monday June 5, 2017 at 5 PM PDT there
are 130807 Structures
including structures of Protein/Nucleic Acid
Complexes, Nucleic Acids, Carbohydrates
X-ray ~ 90%
NMR ~ 9% Protein Knowledgebase:
554，860 (SP )
87，291，332 (TrEMBL)
PDB Growth yearly Red: Total
Blue: Yearly
The basics of proteins
Proteins are linear heteropolymers: one or
more polypeptide chains
Building blocks: 20 types of amino acids.
Range from a few 10s-1000s
Three-dimensional shapes (“fold”) adopted
vary enormously.
Common structure of Amino Acid
Formation of polypeptide chain
Basic Measurements
for protein struc
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