Biochemistry Online: An Approach Based on Chemical Logic

Chime and Jmol Files

01/06/2009

The list below contains modeling tutorial files that are available from Biochemistry Online: An Approach Based on Chemical Logic. Some are links to outside files, but the majority have been created specifically for this course, mostly by students.   During the summer of 2006, I will converted most of the Chime files to Jmol format, which does not require the Chime plugin.  It can run on any browser that is Java enabled, on any computer, including Macs, Unix, and Linux systems.  The graphics are better as well.  The structural coordinates for the molecules below were downloaded directly from the Protein Data Bank without further refinements or energy minimizations.  In some, molecules not relevant to the displays (water, etc) have been deleted from the pdb files.  These files have been made over a five year period.  The earlier ones are less interactive and have contain less written information.  As most are from students, the very in the amount of supportive information provided.

Chime Instructions: If you are working at a PC in a public access area, you can use a internet browser plug-in (which is already installed in those areas) called Chime.   It will allow you to view and manipulate molecular models interactively on your computer.   You should be able to see and rotate your molecule by placing the mouse cursor in the black window and using the commands given below:

In addition, you can change the rendering of the molecule by moving the mouse cursor within the area of the molecule. Click and hold the right mouse button, and a new menu will appear that will allow additional manipulation of the molecule. Experiment with these commands.

 Jmol Instructions: TBA

Jmol files below highlighted in

 

 

Chapter 1:  Lipid Structure

Chime

Jmol

External
Chime

External
Jmol

Butane: conformations and energy

   

Ö

 

conformations of ethane

     

Ö

conformations of propane

     

Ö

butane: the gauche conformation

     

Ö

di-18:0 PC  

Ö

 

 

Triacylglyceride

 

Ö

 

 

Other Lipid Models

   

Ö

 

Lipid Molecules

   

Ö

 

Micelle

 

Ö

 

 

Bilayer

 

Ö

 

 

Human serum albumin  complex with 18:0

 

Ö

 

 

hydrated DPPC (dipalmitoylphoshpatidylcholine) membrane section in the fluid phase (this is a huge file!)

Ö

   

 

 a nonhydrated DPPC membrane in the fluid phase (not so big)

Ö

   

 

a nonhydrated DPPC membrane in the fluid phase (not so big)

 

Ö

 

 

 

Chapter 2:  Protein Structure

Chime

Jmol

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Chime

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Jmol

Amino Acids from UCDavis     Ö  
Amino Acid Structure     Ö  
Amino Acids       Ö
RhoA - a cytoplasmic protein - The complexity of protein analysis   Ö    
Rubredoxin from pyroccus furious:  NMR and X-Ray Structure Ö add    
An isolated helix from an Antifreeze Protein Ö      
An isolated helix from an Antifreeze Protein   Ö    
Alpha Helix - Web     Ö  
Dynamics of an alpha helix     Ö  
Silk     Ö  
Twisted beta sheet Ö      
Twisted beta sheet   Ö    
Beta barrel from triose phosphate isomerase. Ö      
Beta barrel from triose phosphate isomerase   Ö    
Reverse Turn from intestinal fatty acid binding protein     Ö  
Reverse Turn Trypsin Inhibitor 2 (aa 20-26, Eballium elaterium) Ö      
Reverse Turn   Trypsin Inhibitor   Ö    
A protein with a buried nonpolar amino acid Ö      
helix-loop-helix from the lambda repressor/DNA Ö      
helix-loop-helix from the lambda repressor/DNA   Ö    
helix-loop-helix (EF Hand) from calmodulin Ö      
helix-loop-helix (EF Hand) from calmodulin   Ö    
beta-hairpin from bovine pancreatic trypsin inhibitor Ö      
beta-hairpin from bovine pancreatic trypsin inhibitor   Ö    
Greek Key   add    
beta-helix-beta motif from triose phosphate isomerase Ö      
beta-helix-beta motif from triose phosphate isomerase   Ö    
b - helix     Ö  
cytochrome B562 Ö      
cytochrome B562   Ö    
met-myoglobin Ö      
met-myoglobin   Ö    
triose phosphate isomerase Ö      
triose phosphate isomerase   Ö    
alcohol dehydrogenase Ö      
hexokinase Ö      
hexokinase   Ö    
superoxide dismutase Ö      
superoxide dismutase   Ö    
human IgG1 antibody Ö      
human IgG1 antibody   Ö    
immunoglobulin structure Ö      
retinol binding protein Ö      
 retinol binding protein   Ö    
RNase A Ö      
RNase A   Ö    
Apolactalbumin (w/o Ca2+)/Hololactalbumin Ö      
Apolactalbumin (w/o Ca2+)/Hololactalbumin   Ö    
Engrailed homeodomain - denatured and native states   Ö    
GroEL/ES Ö      
GroEL/ES   Ö    
Cyclophilin Ö      
Cyclophilin   Ö    
SecYEB Protein Translocase (homologous to Sec 61) Ö      
SecYEB Protein Translocase   Ö    
Top7 - A designed 93 amino acid protein with a novel fold Ö      
Top7 - A designed 93 amino acid protein with a novel fold   Ö    
 Prion Protein, Mad Cow Disease, and Mutations Ö      

Prion Protein, Mad Cow Disease, and Mutations

  Ö    
Prion Protein, Altegen, Inc     Ö  
HET-s(218-289) Prion Form a b Solenoid (2RNM)  - under construction        
beta amino acid peptide bundle   Ö    

 

Chapter 3:  Carbohydrates

Chime

Jmol

External
Chime

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Jmol

 a and b-D-glucopyranose Ö      
b-D-glucopyranose   Ö    
D Glucose       Ö
Acetal Formation       Ö
Glycogen       Ö
Amylose       Ö
Amylopectin       Ö
cellulose       Ö
Cellulose (cif file)        
Chondrotin Sulfate Ö      
Glycobiology resources:  GAGs with Chime Models     Ö  
NEW 5/9/08  Peptidoglycan glycosyl transferase   Ö    
N-Linked Complex CHOs Ö      
Hemagglutinin antigen     Ö  
Oseltamivir (Tamiflu): Neuramindase N1 complex   Ö    
Soybean Agglutinin Lectin Ö      
P-Selectin Lectin/EGF Domains (IG1Q Ö      
P-Selectin Lectin/EGF Domains (IG1Q   Ö    

 

Chapter 4:  DNA, Genomics, and Proteomics

Chime

Jmol

External
Chime

External
Jmol

double-stranded DNA.     Ö  
the Genetic Code     Ö  
DNA Strands and Backbone     Ö  
DNA:  Ends and Parallelisms     Ö  
DNA Tutorial       Ö
A RNA, B and Z DNA     Ö  
A RNA, B and Z DNA (side by side)     Ö  

 

Chapter 5:  Binding

Chime

Jmol

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Chime

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Jmol

Avidin:Biotin Complex (1AVD) Ö      
Avidin:Biotin Complex (1AVD)   Ö    
Cu(I) Form Of E. Coli Cuer, A Copper Efflux Regulator (1QO5) Ö      
Cu(I) Form Of E. Coli Cuer, A Copper Efflux   Ö    
deoxy-heme and carbon monoxide-heme Ö      
deoxy-heme and carbon monoxide-heme   Ö    
Met-Myoglobin   Ö    
Hemoglobin: A Chime Tutorial Ö      
Hb Chime Tutorial (U. Mass)   Ö    
Hemoglobin tutorial ( Wellesley)     Ö  
Hemoglobin/Myoglobin Comparisons     Ö  
Symmetry in Protein Oligomers (beta version with lots of work left to do)   Ö    
Unliganded gp120 core (HIV viral protein) Ö      
Unliganded gp120 core (HIV viral protein)   Ö    
NEW 5/9/08  Parainfluenza Virus 5F Protein   Ö    
Simple DNA Tutorial   Ö    
TATA Box Binding Protein   Ö    
NEW 5/9/08  RNA Polymerase II/DNA/RNA complex   Ö    
NEW 5/9/08  Auxin Receptor   Ö    
Lambda-Repressor Complex Ö      
Lambda-Repressor Complex   Ö    
Zif268:DNA Complex Ö      
Zif268:DNA Complex   Ö    
Leucine Zipper Ö      
Leucine Zipper   Ö    
Methyl-CpG-Binding Domain of Human MBD1 in Complex with Methylated DNA   Ö    
nucleosome Ö      
nucleosome   Ö    
dsRNA    Ö    
NEW 5/9/08   Dicer   Ö    
NEW 5/13/08  TLR3:dsRNA complex   Ö    
NF-KB(P50)2 Complexed To A High- Affinity RNA Aptamer Ö      
 Nf-Kb(P50)2 Complexed To A High- Affinity RNA Aptamer   Ö    
ZP3 Sperm Receptor Nature 456, 653 (2008)        
1KWU:  Rat Mannose Binding Protein A Complexed With A-Me-Man        

 

Chapter 6:  Transport and Kinetics

Chime

Jmol

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Chime

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Jmol

Lactose Permease Ö      
Lactose Permease   Ö    
Glycerol-3-Phosphate Transporter From E. Coli Ö      
Glycerol-3-Phosphate Transporter From E. Coli   Ö    
Aquaporin       Ö
Aquaporin Monomer   Ö    
Valinomycin       Ö
Gramicidin       Ö
Maltoporin Transport Protein Ö      
Maltoporin Transport Protein   Ö    

 

Chapter 7:  Catalysis

Chime

Jmol

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Chime

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Jmol

Immunoglobulin 48G7 Germline Fab Antibody Complexed With Hapten 5-(Para-Nitrophenyl Phosphonate)-Pentanoic Acid Ö      
Immunoglobulin 48G7 Germline Fab Antibody Complexed With Hapten 5-(Para-Nitrophenyl Phosphonate)-Pentanoic Acid   Ö    
Carboxypeptidase A Ö      
Carboxypeptidase A   Ö    
Lysozyme     Ö  
Chymotrypsin Ö      
Chymotrypsin:D-Leu-L-Phe-p-fluorobenzylamde complex   Ö    
Chymotrypin-Phenylethylboronate Inhibitor Complex Ö      
Chymotrypin-Phenylethylboronate Inhibitor Complex   Ö    
Comparison of Chymotrypin and Subtilisin Ö      
Comparison of Chymotrypin and Subtilisin   Ö    
E. Coli GlpG rhomboid intramembrane protease   Ö    
Mammalian Proteasome  - (1IRU) Ö      
Mammalian Proteasome  - (1IRU)   Ö    
Yeast 20 S Proteasome     Ö  
TPP enzyme:  add        
PLP enzyme:  add        
Glyceraldehyde-3-phosphate dehydrogenase (NAD)   Ö    
Hammerhead Ribozyme     Ö  
Self-splicing Group I intron with both exons Ö      
Self-splicing Group I intron with both exons   Ö    
NEW 5/9/08 L1 Ligase Ribozyme   Ö    
Puckering in ribose and deoxyribose   Ö    
Comparison of ds DNA forms       Ö
Comparison of ds DNA and dsRNA   Ö    

 

Chapter 8:  Oxidative Phosphorylation

Chime

Jmol

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Chime

External
Jmol

Adenine DNA glycosylase:8-oxyG DNA complex Ö      
Adenine DNA glycosylase:8-oxyG DNA complex   Ö    
sod, peroxidases, etc        
Flavin dehydrogenase Ö      
Flavin dehydrogenase   Ö    
Estrogen Receptor Complexed Tamoxifen   Ö    
Cytochrome P450cam Ö      
Cytochrome P450cam   Ö    
Cyclooxygenase I and Nonsteroidal anti-inflammatory drugs (NSAID)     Ö  
Cytochrome C Oxidase Ö      
Cytochrome C Oxidase   Ö    
ATP/ADP Ö      
ATP   Ö    
Glyceraldehyde-3-phosphate dehydrogenase Ö      
Glyceraldehyde-3-phosphate dehydrogenase   Ö    
Cytochrome C Oxidase Ö      
Cytochrome C Oxidase   Ö    
Succinate Dehydrogenase (Complex II) Ö      
Succinate Dehydrogenase (Complex II)   Ö    
FoF1ATPase        
Light Harvesting Complex from Spinach 1RWT Ö      
Light Harvesting Complex from Spinach 1RWT   Ö    
Detailed Photosystem II from S. elongatus Ö      
Detailed Photosystem II from S. elongatus   Ö    
Photosystem I: A Photosynthetic Reaction Center and Core Antenna System From Cyanobacteria 1JBO Ö      
Photosystem I: A Photosynthetic Reaction Center and Core Antenna System From Cyanobacteria 1JBO   Ö    

 

Chapter 9:  Energy and Signal Transduction

Chime

Jmol

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Chime

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Jmol

Bacteriorhodopsin Crystallized From Bicelles (1KME) Ö      
Bacteriorhodopsin Crystallized From Bicelles   Ö    
EmrE multidrug resistance transporter   Ö    
Acetylcholine Receptor Pore (1OED) Ö      
Acetylcholine Receptor Pore (1OED)   Ö    
Potassium Channel Ö      
Potassium Channel   Ö    
Mammalian Voltage-dependent Shaker family potassium channel Ö      
Mammalian Voltage-dependent Shaker family potassium channel   Ö    
Chloride Channel Ö      
Chloride Channel   Ö    
Protein Kinase C     Ö  
NEW 5/9/08 Beta Andrenergic Receptor    Ö    
Gsa - Adenylate Cyclase Complex Ö      

General Sites

General Jmol Sites