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DNA oligomer containing propylene cross-linked cyclic 2'- deoxyuridylate dimer

Analyse DNA oligomer containing propylene cross-linked cyclic 2'- deoxyuridylate dimer in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2RRQ
Type
DNA
Length
28 nucleotides
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*CP*TP*TP*CP*AP*(JDT)P*TP*AP*CP*AP*TP*CP*C)- 3'); DNA…
Pockets
1 · best druggability 0.29

Structure

solution nmr · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*CP*CP*TP*TP*CP*AP*(JDT)P*TP*AP*CP*AP*TP*CP*C)- 3')dna14——
BDNA (5'-D(*GP*GP*AP*TP*GP*TP*AP*AP*TP*GP*AP*AP*GP*G)-3')dna14——

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1850.290.7214empty

Interfaces

1 interface between chains.

  • A–B · 624 Ų buried · 70 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 2RRQ · DNA oligomer containing propylene cross-linked cyclic 2'-deoxyuridylate dimer · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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