This document discusses protein structure, classification, prediction, and visualization. It covers secondary structure elements like alpha helices and beta sheets, as well as tertiary and quaternary structure. It describes protein structure databases like the Protein Data Bank and tools for visualizing protein structures. Different amino acid properties that influence secondary structure are also discussed.
Tertiary structure
Motifs:
-Also calledsupersecondary structures or folds
-Stable arrangements of several elements of secondary structure
and connections between them
Domains:
Polypeptides with more than a few hundred amino acid residues
often fold into two or more stable, globular units
Quaternary structure
The spatialarrangement of different subunits
Forces involved are,
1. Vander Waals
2. London Dispersions
3. Salt bridges
4. H-bonds
Steric properties ofamino acids can greatly affect the local
structures that a protein adopts
Structural configuration Amino acid
Propensity for alpha-helix Ala, Leu, Glu
Disrupt alpha-helix Ser, Asp, Asn
Propensity for Beta-sheets and
disrupt alpha-helix Val and Ile
Propensity for turns Gly, Pro, Asp
12.
Protein structure Databases
ProteinData Bank
Large global repository for the processing and distribution of
3-D macromolecular structure data (experimental)
MMDB (Molecular modelling Database)
Macromolecular 3D structures as well as tools for their
visualization and comparative analysis
13.
Protein structure Visualization
Databasesand tools
Cn3-D
Structure and sequence alignment viewer for NCBI databases
RasMol
One of the most popular tools for protein structure visualization
Swiss-PDB Viewer
An interface to analyze several proteins at the same time
It is tightly linked to Swiss-model, an automated homology
modelling server
14.
Protein structure Visualization
Databasesand tools
Kinemage
An illustration presented as an interactive computer display
PDBsum
Pictorial summary of the key information on each
macromolecular structure from PDB
15.
Protein structure alignment
VAST(Vector alignment Search Tool)
Developed at NCBI
Used to identify similar protein 3D structures in MMDB/PDB
DALI Server
An automated protein structure alignment tool
16.
Domain Architecture Databases
CDD(Conserved Domain Database)
NCBI database
Collection of sequence alignments and profiles, representing
protein