Research workbench
Intercalation of heterocyclic ligand between quartets in G-rich tetrahelical structure
Analyse Intercalation of heterocyclic ligand between quartets in G-rich tetrahelical… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6SX3
- Type
- DNA
- Length
- 31 nucleotides
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- VK2
- Ligands
- LWQ
- Pockets
- 3 · best druggability 0.38
Structure
solution nmr · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | VK2 | dna | 31 | — | — |
Ligands and binding sites
- LWQ · ~{N}2,~{N}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2, 6-dicarboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 85 | 0.38 | 0.77 | 9 | LWQ |
| 2 | 101 | 0.37 | 0.76 | 13 | empty |
| 3 | 68 | 0.33 | 0.77 | 9 | empty |
Compared structures
- 6SX3 · Intercalation of heterocyclic ligand between quartets in G-rich tetrahelical structure · 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 6SX3 · PDBe 6SX3
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