MolNFT v1 · #27086 · DNA
Solution structure of the DNA-hexamer atgcat complexed with DNA bis- intercalating anticancer drug XR5944 (MLN944)
1X95 · 5'-D(*AP*TP*GP*CP*AP*T)-3': “Solution structure of the DNA-hexamer atgcat complexed with DNA bis- intercalating anticancer drug XR5944…”. Solution nmr, 1 ligand (XR2). MolNFT v1 #27086 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1X95
- Type
- DNA
- Length
- 12 nucleotides
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*AP*TP*GP*CP*AP*T)-3'
- Ligands
- XR2
Structure
solution nmr · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 5'-D(*AP*TP*GP*CP*AP*T)-3' | dna | 6 | — | — |
Ligands and binding sites
- XR2 · 1-methyl-9-[12-(9-methylphenazin-10-ium-1-yl)-12-oxo-2,11-diaza-5,8-diazoniadodec-1-anoyl]phenazin-10-ium · ligand · 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 · 302 Ų buried · 24 hydrogen bonds · nucleic-nucleic
Compared structures
- 1X95 · Solution structure of the DNA-hexamer ATGCAT complexed with DNA Bis-intercalating… · 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 1X95 · PDBe 1X95
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