Sandbox Reserved 434

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This Sandbox is Reserved from January 19, 2016, through August 31, 2016 for use for Proteopedia Team Projects by the class Chemistry 423 Biochemistry for Chemists taught by Lynmarie K Thompson at University of Massachusetts Amherst, USA. This reservation includes Sandbox Reserved 425 through Sandbox Reserved 439.


Pantetheinase (4CYG)[1]

by [Luke Schnitzler, Patrick Tonne, Owen O'Connor, Tyler Russell, Nicholas Sant]

Student Projects for UMass Chemistry 423 Spring 2016 <StructureSection load='4CYG' size='350' side='right' caption='caption for Molecular Playground (PDB entry 4CYG)' scene=>

Introduction

The two protein subunits possess dense regions of beta strands and alpha helices. Main points: - introduce general characteristics of protein (location within cell, substrate activity) - A small paragraph on its discovery - The broad impact of the protein (what happens if it loses function?)

Overall Structure

- 506 total residues, 87 missing - Two chains, each with many alpha helices and beta sheets - Chain A, colored by component 43 missing residues: 8-20, 484-513 - Chain B 44 missing residues: 8-20, 484-513

Ligands and non-standard residues - 2 RRV - 2 PEG - 8 NAG


Binding Interactions

Vanin-1 binds with 3 unique ligands including PEG (DI(HYDROXYETHYL)ETHER), NAG (N-ACETYL-D-GLUCOSAMINE) and RRV ((2R)-2,4-dihydroxy-N-[(3S)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide). NAG and RRV both bind in the alpha helixes and beta strands but PEG only binds to the beta strands.


Alpha and Beta Structures

Additional Features

The purple chains represent the polar and therefore hydrophilic regions of 4CYG and the grey chains represent the nonpolar hydrophobic regions of 4CYG.

Quiz Question 1

- Additional research needed to formulate question (may potentially pertain to structure-substrate interaction)

See Also

Credits

Introduction - Patrick Tonne

Overall Structure - Luke Schnitzler

Drug Binding Site - Owen O'Connor

Additional Features - Nick Saint

Quiz Question 1 - Tyler Russell

References

  1. ↑ Boersma YL, Newman J, Adams TE, Cowieson N, Krippner G, Bozaoglu K, Peat TS. The structure of vanin 1: a key enzyme linking metabolic disease and inflammation. Acta Crystallogr D Biol Crystallogr. 2014 Dec 1;70(Pt 12):3320-9. doi:, 10.1107/S1399004714022767. Epub 2014 Nov 28. PMID:25478849 doi:https://dx.doi.org/10.1107/S1399004714022767