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MolNFT v1 · #11696 · DNA

Solution structure of the deoxyribose HIV-1LAI initiation sequence stable dimer

1JUA · 5'-D(*CP*TP*TP*GP*CP*TP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP…: “Solution structure of the deoxyribose HIV-1LAI initiation sequence stable dimer”. Solution nmr, 4 pockets (best druggability 0.51). MolNFT v1 #11696 on GenesisL1: 3D…

PDB
1JUA
Type
DNA
Length
46 nucleotides
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*CP*TP*TP*GP*CP*TP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP *GP*CP*AP*AP*G)-3'
Pockets
4 · best druggability 0.51

Structure

solution nmr · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B5'-D(*CP*TP*TP*GP*CP*TP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP *GP*CP*AP*AP*G)-3'dna23——

Pockets

4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11530.510.8012empty
21500.500.7913empty
3870.330.7412empty
4890.320.7313empty

Interfaces

1 interface between chains.

  • A–B · 651 Ų buried · 58 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1JUA · Solution Structure of the Deoxyribose HIV-1Lai Initiation Sequence Stable Dimer · the same entry in another collection · chain A against A, TM-score 1.00

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