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MolNFT v1 · #167055 · RNA

Co-crystal structure of the fluorogenic mango-IV homodimer bound to TO1-biotin

6V9D · RNA (28-mer): “Co-crystal structure of the fluorogenic mango-IV homodimer bound to TO1-biotin”. X-ray diffraction, 3 ligands (QW4, K, BR), 3 pockets (best druggability 0.44). MolNFT v1 #167055 on GenesisL1: 3D structure, binding…

PDB
6V9D
Type
RNA
Length
55 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA (28-mer)
Ligands
QW4, K, BR
Pockets
3 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
BRNA (28-mer)rna28——
ERNA (28-mer)rna27——

Ligands and binding sites

  • QW4 · 2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-3-(2-oxopropyl)-1,3-benzothiazol-3-ium · ligand · 3 copies · chains B, E
  • K · Potassium ion · metal · 4 copies · chains B, E
  • BR · Bromide ion · ion · 2 copies · chains B, E

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11930.440.7410QW4
21760.410.7410QW4
3660.260.7314BR

Interfaces

1 interface between chains.

  • B–E · 504 Ų buried · 43 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6V9D · Co-crystal structure of the fluorogenic Mango-IV homodimer bound to TO1-Biotin · the same entry in another collection · chain B against B, TM-score 1.00

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