MolNFT v1 · #76867 · DNA
Crystal structure of the brominated ckit-1 proto-oncogene promoter quadruplex DNA
3QXR · 5'-D(*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*CP*(BRU)…: “Crystal structure of the brominated ckit-1 proto-oncogene promoter quadruplex DNA”. X-ray diffraction, 2 ligands (K, MG), 1 pocket (best druggability 0.33). MolNFT v1 #76867 on…
- PDB
- 3QXR
- Type
- DNA
- Length
- 44 nucleotides
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*CP*(BRU) P*GP*GP*GP*AP*GP*GP*AP*GP*GP*G)-3'
- Ligands
- K, MG
- Pockets
- 1 · best druggability 0.33
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 5'-D(*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*CP*(BRU) P*GP*GP*GP*AP*GP*GP*AP*GP*GP*G)-3' | dna | 22 | — | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 52 | 0.33 | 0.79 | 8 | empty |
Interfaces
1 interface between chains.
- A–B · 514 Ų buried · 18 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 2 modified (nucleotide modification).
Compared structures
- 3QXR · Crystal structure of the brominated CKIT-1 proto-oncogene promoter quadruplex DNA · 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 3QXR · PDBe 3QXR
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