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Head-to-tail dimer of calicheamicin gamma-1-I oligosaccharide bound to DNA duplex, NMR, 9 structures

Analyse Head-to-tail dimer of calicheamicin gamma-1-I oligosaccharide bound to DNA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1QMS
Type
DNA
Length
24 nucleotides
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*GP*CP*AP*CP*CP*TP*TP*CP*CP*TP*GP*C)-3'); DNA…
Ligands
CCI, NBU

Structure

solution nmr · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*GP*CP*AP*CP*CP*TP*TP*CP*CP*TP*GP*C)-3')dna12——
BDNA (5'-D(*GP*CP*AP*GP*GP*AP*AP*GP*GP*TP*GP*C)-3')dna12——

Ligands and binding sites

  • CCI · Calicheamicin gamma-1-oligosaccharide · ligand · 2 copies · chains A, B
  • NBU · N-butane · ligand

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Interfaces

1 interface between chains.

  • A–B · 526 Ų buried · 61 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1QMS · Head-to-Tail Dimer of Calicheamicin gamma-1-I Oligosaccharide Bound to DNA Duplex, NMR, 9… · the same entry in another collection · chain A against A, TM-score 1.00

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