MolNFT v1 · #13109 · DNA
Crystal structure of the quadruplex DNA-drug complex
1L1H · 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3': “Crystal structure of the quadruplex DNA-drug complex”. X-ray diffraction, 2 ligands (PYN, K). MolNFT v1 #13109 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1L1H
- Type
- DNA
- Length
- 24 nucleotides
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3'
- Ligands
- PYN, K
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3' | dna | 12 | — | — |
Ligands and binding sites
- PYN · 3-pyrrolidin-1-yl-N-[6-(3-pyrrolidin-1-yl-propionylamino)-acridin-3-yl]-propionamide · ligand · chains A, B
- K · Potassium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–B · 770 Ų buried · 63 hydrogen bonds · nucleic-nucleic
Compared structures
- 1L1H · Crystal Structure of the Quadruplex DNA-Drug Complex · 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 1L1H · PDBe 1L1H
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