4PDA: Structure Of Vccnt-7c8c Bound To Cytidine

Citation:
Abstract
Concentrative nucleoside transporters (CNTs) are responsible for cellular entry of nucleosides, which serve as precursors to nucleic acids and act as signaling molecules. CNTs also play a crucial role in the uptake of nucleoside-derived drugs, including anticancer and antiviral agents. Understanding how CNTs recognize and import their substrates could not only lead to a better understanding of nucleoside-related biological processes but also the design of nucleoside-derived drugs that can better reach their targets. Here, we present a combination of X-ray crystallographic and equilibrium-binding studies probing the molecular origins of nucleoside and nucleoside drug selectivity of a CNT from Vibrio cholerae. We then used this information in chemically modifying an anticancer drug so that it is better transported by and selective for a single human CNT subtype. This work provides proof of principle for utilizing transporter structural and functional information for the design of compounds that enter cells more efficiently and selectively.
PDB ID: 4PDADownload
MMDB ID: 122376
PDB Deposition Date: 2014/4/17
Updated in MMDB: 2017/10
Experimental Method:
x-ray diffraction
Resolution: 2.61  Å
Source Organism:
Similar Structures:
Biological Unit for 4PDA: trimeric; determined by author and by software (PISA)
Molecular Components in 4PDA
Label Count Molecule
Proteins (3 molecules)
3
Nupc Family Protein
Molecule annotation
Chemicals (9 molecules)
1
3
2
3
3
3
* Click molecule labels to explore molecular sequence information.

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