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2-hydroxy-7-nitrofluorene covalently linked into a 13MER DNA duplex - solution structure of the face-up orientation

Analyse 2-hydroxy-7-nitrofluorene covalently linked into a 13MER DNA duplex - solution… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2KH1
Type
DNA
Length
26 nucleotides
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*GP*CP*TP*GP*CP*AP*(3DR)P*AP*CP*GP*TP*CP*G)-3'…
Ligands
HNF

Structure

solution nmr · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A5'-D(*GP*CP*TP*GP*CP*AP*(3DR)P*AP*CP*GP*TP*CP*G)-3'dna13——
B5'-D(*CP*GP*AP*CP*GP*TP*(3DR)P*TP*GP*CP*AP*GP*C)-3'dna13——

Ligands and binding sites

  • HNF · 7-nitro-9H-fluoren-2-ol · 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 · 580 Ų buried · 84 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 modified, 1 covalent (nucleotide modification, covalent ligand).

Compared structures

  • 2KH1 · 2-Hydroxy-7-nitrofluorene covalently linked into a 13mer DNA duplex - solution structure… · the same entry in another collection · chain A against A, TM-score 1.00

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