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Co-crystal structure of HIV-1 tar RNA in complex with lab-evolved rrm TBP6.9

Analyse Co-crystal structure of HIV-1 tar RNA in complex with lab-evolved rrm TBP6.9 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6XH0
Type
protein + RNA
Length
114 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tar binding protein 6.9; Trans-activation response element
Ligands
MG
Pockets
2 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATar binding protein 6.9protein8730% helix, 26% strand—
DTrans-activation response elementrna27——

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains D

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11610.700.8922empty
22940.520.7526empty

Interfaces

1 interface between chains.

  • A–D · 794 Ų buried · 17 hydrogen bonds · protein-nucleic

Compared structures

  • 6XH0 · Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM TBP6.9 · the same entry in another collection · chain A against A, TM-score 1.00

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