MolNFT v1 · #27204 · DNA
Structure of OLIGONUCLEOTIDE/DRUG complex
1XCS · 5'-D(*CP*GP*TP*AP*CP*G)-3': “Structure of OLIGONUCLEOTIDE/DRUG complex”. X-ray diffraction, 3 ligands (A4L, CO, BA). MolNFT v1 #27204 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1XCS
- Type
- DNA
- Length
- 11 nucleotides
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*CP*GP*TP*AP*CP*G)-3'
- Ligands
- A4L, CO, BA
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5'-D(*CP*GP*TP*AP*CP*G)-3' | dna | 5 | — | — |
| B | 5'-D(*CP*GP*TP*AP*CP*G)-3' | dna | 6 | — | — |
Ligands and binding sites
- A4L · 9-[(5-(acetylamino)-6-{[(1S,4R)-8-amino-4-[((2R)-6-amino-2-{2-[(1S)-5-amino-1-formylpentyl]hydrazino}hexanoyl)amino]-1-(4-aminobutyl)-2,3-dioxooctyl]amino}-6-oxohexyl)amino]-6-chloro-2-methoxyacridinium · ligand · chains A, B
- CO · Cobalt (II) ion · metal · 2 copies · chains A, B
- BA · Barium 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 · 176 Ų buried · 12 hydrogen bonds · nucleic-nucleic
Compared structures
- 1XCS · structure of oligonucleotide/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 1XCS · PDBe 1XCS
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