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MolNFT v1 · #151813 · protein + RNA

Crystal structure of DHX8 helicase bound to single stranded poly- adenine RNA

6HYU · ATP-dependent RNA helicase DHX8: “Crystal structure of DHX8 helicase bound to single stranded poly- adenine RNA”. X-ray diffraction, 17 pockets (best druggability 0.85). MolNFT v1 #151813 on GenesisL1: 3D structure, binding sites…

PDB
6HYU
Type
protein + RNA
Length
1,207 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP-dependent RNA helicase DHX8; RNA (5'-R(*AP*AP*AP*AP*AP*A)-3'); RNA (5'-R(*A*AP*A)-3')
EC
3.6.4.13
UniProt
Q14562
Pockets
17 · best druggability 0.85

Structure

x-ray diffraction · 4 distinct chains · 41% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AATP-dependent RNA helicase DHX8 (EC 3.6.4.13)protein61340% helix, 18% strandQ14562
BRNA (5'-R(*AP*AP*AP*AP*AP*A)-3')rna6——
CATP-dependent RNA helicase DHX8 (EC 3.6.4.13)protein58542% helix, 17% strandQ14562
DRNA (5'-R(*A*AP*A)-3')rna3——

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

17 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110710.850.8692empty
25450.840.9098empty
36500.780.8380empty
42680.710.8633empty
51250.620.8626empty

Interfaces

3 interfaces between chains.

  • A–B · 1132 Ų buried · 28 hydrogen bonds · protein-nucleic
  • A–C · 617 Ų buried · 2 hydrogen bonds · protein-protein
  • C–D · 300 Ų buried · 2 hydrogen bonds · protein-nucleic

Compared structures

  • 6HYU · Crystal structure of DHX8 helicase bound to single stranded poly-adenine RNA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q14562 · AlphaFold monomer V2.0 prediction for ATP-dependent RNA helicase DHX8 (Q14562) · a predicted model of the same protein · chain A against A, TM-score 0.95

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