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Calicheamicin GAMMA1I-DNA complex, NMR, 6 structures

Analyse Calicheamicin GAMMA1I-DNA complex, NMR, 6 structures in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2PIK
Type
DNA
Length
18 nucleotides
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA(5'-D(C*AP*CP*TP*CP*CP*TP*GP*GP*TP*TP*TP*TP* TP*GP*TP*GP*AP*GP*GP*AP*CP*CP)-3')
Ligands
DAG, EMP, DSR, HIB, MRP, MTC

Structure

solution nmr · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA(5'-D(C*AP*CP*TP*CP*CP*TP*GP*GP*TP*TP*TP*TP* TP*GP*TP*GP*AP*GP*GP*AP*CP*CP)-3')dna18——

Ligands and binding sites

  • DAG · 4-amino-4,6-dideoxy-beta-D-glucopyranose · ligand · chains A
  • EMP · 2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranose · ligand · chains A
  • DSR · 2,6-dideoxy-4-thio-beta-D-allopyranose · ligand · chains A
  • HIB · 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoic acid · ligand · chains A
  • MRP · 3-O-methyl-alpha-L-rhamnopyranose · ligand · chains A
  • MTC · [1,8-dihydroxy-11-oxo-13-(2-methyltrithio-ethylidene)-bicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl]-carbamic acid methyl ester · ligand · chains A

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

Compared structures

  • 2PIK · Calicheamicin GAMMA1I-DNA complex, NMR, 6 structures · the same entry in another collection · chain A against A, TM-score 1.00

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