Water-mediated ribonucleotide–amino acid pairs and higher-order structures at the RNA–protein interface: analysis of the crystal structure database and a topological classification
Raman Jangra, John F Trant, Purshotam Sharma · 2024
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Description
Raman Jangra, John Trant, and Purshotam Sharma catalog water bridges at RNA protein interfaces in this 2024 paper. Water is often treated as background solvent in structures. At binding surfaces it can hold the two partners together. The team mined 329 crystal structures of RNA protein complexes.
They found 4,963 water mediated contacts in total. Graph theory sorted those bridges into patterns of three, four, and five partners. Simple triplets dominated, and higher orders grew rarer as networks grew. The classification gives names to recurring shapes at the interface. Water emerges as an organizer of binding, not just a filler. Drug designers who ignore bridge waters may miss key contacts.
Catalog record
| CREATOR | Raman Jangra, John F Trant, Purshotam Sharma |
|---|---|
| YEAR | 2024 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 48 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |