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Structure, dynamics and hydration of the nogalamycin-D(ATGCAT)2 complex determined by NMR and molecular dynamics simulations in solution

Analyse Structure, dynamics and hydration of the nogalamycin-D(ATGCAT)2 complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1QCH
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: NGM, NA

Structure

solution nmr · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	5'-D(APTPGPCPAPT)-3'	dna	6	—	—

Ligands and binding sites

NGM · Nogalamycin · ligand · chains A, B
NA · Sodium ion · metal · 9 copies · 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 · 262 Å² buried · 21 hydrogen bonds · nucleic-nucleic

Compared structures

1QCH · Structure, dynamics and hydration of the nogalamycin-D(ATGCAT)2 complex determined by NMR… · 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 1QCH · PDBe 1QCH

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