MolNFT v1 · #24413 · RNA

NMR structure of a synthetic small molecule, RBT203, bound to HIV-1 tar RNA

1UUD · RNA (5'-(*GP*GP*CP*AP*GP*AP*UP*CP*UP*GP*AP*GP…: “NMR structure of a synthetic small molecule, RBT203, bound to HIV-1 tar RNA”. Solution nmr, 1 ligand (P14), 1 pocket (best druggability 0.37). MolNFT v1 #24413 on GenesisL1: 3D…

PDB: 1UUD
Type: RNA
Length: 29 nucleotides
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: RNA (5'-(*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*G…
Ligands: P14
Pockets: 1 · best druggability 0.37

Structure

solution nmr · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	RNA (5'-(GPGPCPAPGPAPUPCPUPGPAPGP CPCPUPGPGPGPAPGPCPUPCPUPCPUPGPCP*C) -3')	rna	29	—	—

Ligands and binding sites

P14 · N-[2-(2-{[(4-{[amino(imino)methyl]amino}butyl)amino]methyl}-4-methoxyphenoxy)ethyl]guanidine · ligand · chains B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	145	0.37	0.72	15	empty

Compared structures

1UUD · NMR structure of a synthetic small molecule, rbt203, bound to HIV-1 TAR RNA · the same entry in another collection · chain B against B, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 1UUD · PDBe 1UUD

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