MolNFT v1 · #99184 · RNA
Structure of the thf riboswitch bound to pemetrexed
4LVY: “Structure of the thf riboswitch bound to pemetrexed”. X-ray diffraction, 1 ligand (LYA), 2 pockets (best druggability 0.69). MolNFT v1 #99184 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4LVY
- Type
- RNA
- Length
- 89 nucleotides
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thf riboswitch
- Ligands
- LYA
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thf riboswitch | rna | 89 | — | — |
Ligands and binding sites
- LYA · 2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid · ligand · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1079 | 0.69 | 0.75 | 62 | empty |
| 2 | 90 | 0.28 | 0.72 | 12 | empty |
Compared structures
- 4LVY · Structure of the THF riboswitch bound to pemetrexed · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 4LVY · PDBe 4LVY
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