MolNFT v1 · #177542 · RNA
Crystal structure of xanthine riboswitch with xanthine
7ELR · NMT1 (46-mer): “Crystal structure of xanthine riboswitch with xanthine”. X-ray diffraction, 3 ligands (GTP, XAN, MG), 4 pockets (best druggability 0.51). MolNFT v1 #177542 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7ELR
- Type
- RNA
- Length
- 90 nucleotides
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NMT1 (46-mer)
- Ligands
- GTP, XAN, MG
- Pockets
- 4 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | NMT1 (46-mer) | rna | 45 | — | — |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B
- XAN · Xanthine · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 15 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 259 | 0.51 | 0.76 | 17 | MG |
| 2 | 132 | 0.43 | 0.77 | 18 | XAN, MG |
| 3 | 147 | 0.39 | 0.74 | 15 | MG |
| 4 | 82 | 0.30 | 0.74 | 14 | MG |
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 7ELR · Crystal structure of xanthine riboswitch with xanthine · 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 7ELR · PDBe 7ELR
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