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Interactions between morpholinyl anthracyclines and DNA: the crystal structure of a morpholino doxorubicin bound to D(CGTACG)
Analyse Interactions between morpholinyl anthracyclines and DNA: the crystal structure… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2DES
- Type
- DNA
- Length
- 12 nucleotides
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (5'-D(*CP*GP*TP*AP*CP*G)-3')
- Ligands
- DMM, NA, MG
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | DNA (5'-D(*CP*GP*TP*AP*CP*G)-3') | dna | 6 | — | — |
Ligands and binding sites
- DMM · 3'-desamino-3'-(2-methoxy-4-morpholinyl)-doxorubicin · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–B · 285 Ų buried · 22 hydrogen bonds · nucleic-nucleic
Compared structures
- 2DES · Interactions between morpholinyl anthracyclines and DNA: the crystal structure of a… · 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 2DES · PDBe 2DES
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