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102D: Sequence-dependent drug binding to the minor groove of DNA: the crystal structure of the DNA dodecamer D(CGCAAATTTGCG)2 complexed with propamidine

Analyse 102D: Sequence-dependent drug binding to the minor groove of DNA: the crystal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
102D
Type
DNA
Length
24 nucleotides
Chains
2
Method
x-ray diffraction
Authors
Nunn, C.M., Neidle, S.
Deposited
12/15/94
Collection
MolNFT
Contract
0x08363bae41CBeD54a47FC1e6eeE29bf6f00Cb2ba
Owner
0xF80704d7b5fE70cd0C222aD976c42d16A10fdfeA
Resolution
2.2
Molecule
DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Ligands
TNT

Structure

x-ray diffraction · resolution 2.2 · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')dna12——

Ligands and binding sites

  • TNT · 1,3-bis(amidinophenoxy)propane · 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 · 560 Ų buried · 47 hydrogen bonds · nucleic-nucleic

Compared structures

  • 102D · Sequence-dependent drug binding to the minor groove of DNA: the crystal structure of the… · the same entry in another collection · chain A against A, TM-score 1.00
  • 102D · Sequence-dependent drug binding to the minor groove of DNA: the crystal structure of the… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Other records of 102D

  • 102D · MolNFT v2 / PDB Bank · Sequence-dependent drug binding to the minor groove of DNA: the crystal structure of the…
  • 102D-2 · MolNFT v1 / PDB · Sequence-dependent drug binding to the minor groove of DNA: the crystal structure of the…

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