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Structure of tar RNA complexed with a tat-tar interaction nanomolar inhibitor that was identified by computational screening

Analyse Structure of tar RNA complexed with a tat-tar interaction nanomolar inhibitor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1LVJ
Type
RNA
Length
31 nucleotides
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HIV-1 trans activating region RNA
Ligands
PMZ
Pockets
1 · best druggability 0.32

Structure

solution nmr · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
AHIV-1 trans activating region RNArna31——

Ligands and binding sites

  • PMZ · 1-[10-(3-dimethylamino-propyl)-10H-phenothiazin-2-yl]-ethanone · ligand · chains A

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1700.320.768empty

Compared structures

  • 1LVJ · Structure of tar RNA complexed with a tat-tar interaction nanomolar inhibitor that was… · the same entry in another collection · chain A against A, TM-score 1.00

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