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MolNFT v1 · #187269 · protein + RNA

Human nuclear exosome targeting (next) complex homodimer bound to RNA (substrate 1)

7S7B · Exosome RNA helicase MTR4: “Human nuclear exosome targeting (next) complex homodimer bound to RNA (substrate 1)”. Electron microscopy, 1 ligand (ZN), 20 pockets (best druggability 0.81). MolNFT v1 #187269 on GenesisL1: 3D structure…

PDB
7S7B
Type
protein + RNA
Length
2,731 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Exosome RNA helicase MTR4; Zinc finger cchc domain-containing protein 8,ZINC finger cchc…
EC
3.6.4.13
UniProt
P42285, Q6NZY4, Q9Y580
Ligands
ZN
Pockets
20 · best druggability 0.81

Structure

electron microscopy · 5 distinct chains · 40% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, EExosome RNA helicase MTR4 (EC 3.6.4.13)protein92447% helix, 15% strandP42285
BZinc finger cchc domain-containing protein 8,ZINC finger cchc domain-containing protein 8protein35133% helix, 9% strandQ6NZY4
C, GRNA-binding protein 7protein7924% helix, 25% strandQ9Y580
D, HRNA (46-mer)rna11——
FZinc finger cchc domain-containing protein 8,ZINC finger cchc domain-containing protein 8protein35232% helix, 9% strandQ6NZY4

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains B, F

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17480.810.8573empty
23070.800.9148empty
33390.790.8952empty
47280.750.8067empty
511320.750.77102empty

Interfaces

13 interfaces between chains.

  • A–B · 5557 Ų buried · 45 hydrogen bonds · protein-protein
  • E–F · 5497 Ų buried · 45 hydrogen bonds · protein-protein
  • B–F · 4595 Ų buried · 40 hydrogen bonds · protein-protein
  • E–H · 1332 Ų buried · 32 hydrogen bonds · protein-nucleic
  • B–C · 1304 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 7S7B · Human Nuclear exosome targeting (NEXT) complex homodimer bound to RNA (substrate 1) · the same entry in another collection · chain H against H, TM-score 1.00
  • Q9Y580 · AlphaFold monomer V2.0 prediction for RNA-binding protein 7 (Q9Y580) · a predicted model of the same protein · chain C against A, TM-score 0.95
  • P42285 · AlphaFold monomer V2.0 prediction for exosome RNA helicase MTR4 (P42285) · a predicted model of the same protein · chain A against A, TM-score 0.84
  • Q6NZY4 · AlphaFold monomer V2.0 prediction for zinc finger cchc domain- containing protein 8… · a predicted model of the same protein · chain B against A, TM-score 0.31

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