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Structure of a bis-naphthalene bound to a thymine-thymine DNA mismatch

Analyse Structure of a bis-naphthalene bound to a thymine-thymine DNA mismatch in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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

Structure

solution nmr · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*CP*GP*TP*CP*GP*TP*AP*GP*TP*GP*C)-3')dna11——
BDNA (5'-D(*GP*CP*AP*CP*TP*TP*CP*GP*AP*CP*G)-3')dna11——

Ligands and binding sites

  • LLJ · 6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene · 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 · 496 Ų buried · 42 hydrogen bonds · nucleic-nucleic

Compared structures

  • 2LLJ · Structure of a bis-naphthalene bound to a thymine-thymine DNA mismatch · the same entry in another collection · chain A against A, TM-score 1.00

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