MolNFT v1 · #42938 · DNA
NMR structural studies on the covalent DNA binding of a pyrrolobenzodiazepine-naphthalimide conjugate
2KY7 · 5'-D(*AP*AP*CP*AP*AP*TP*TP*GP*TP*T)-3': “NMR structural studies on the covalent DNA binding of a pyrrolobenzodiazepine-naphthalimide conjugate”. Solution nmr, 1 ligand (HY2). MolNFT v1 #42938 on GenesisL1: 3D structure, binding…
- PDB
- 2KY7
- Type
- DNA
- Length
- 20 nucleotides
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*AP*AP*CP*AP*AP*TP*TP*GP*TP*T)-3'
- Ligands
- HY2
Structure
solution nmr · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 5'-D(*AP*AP*CP*AP*AP*TP*TP*GP*TP*T)-3' | dna | 10 | — | — |
Ligands and binding sites
- HY2 · 2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione · 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 · 442 Ų buried · 33 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2KY7 · NMR Structural Studies on the Covalent DNA Binding 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 2KY7 · PDBe 2KY7
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