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MolNFT v1 · #24418 · RNA

NMR structure of a synthetic small molecule, RBT158, bound to HIV-1 tar RNA

1UUI · 5'-R(*GP*GP*CP*AP*GP*AP*UP*CP*UP*GP*AP*GP*CP*…: “NMR structure of a synthetic small molecule, RBT158, bound to HIV-1 tar RNA”. Solution nmr, 1 ligand (P12). MolNFT v1 #24418 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
1UUI
Type
RNA
Length
29 nucleotides
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-R(*GP*GP*CP*AP*GP*AP*UP*CP*UP*GP*AP*GP*CP* CP*UP*GP*GP*GP*AP*GP*CP*UP*CP*UP*CP*UP*GP*CP…
Ligands
P12

Structure

solution nmr · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
B5'-R(*GP*GP*CP*AP*GP*AP*UP*CP*UP*GP*AP*GP*CP* CP*UP*GP*GP*GP*AP*GP*CP*UP*CP*UP*CP*UP*GP*CP*C)-3'rna29——

Ligands and binding sites

  • P12 · 4-[amino(imino)methyl]-1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]piperazin-1-ium · ligand · chains B

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

Compared structures

  • 1UUI · NMR structure of a synthetic small molecule, rbt158, bound to HIV-1 TAR RNA · the same entry in another collection · chain B against B, TM-score 1.00

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