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MolNFT v1 · #114811 · protein + RNA

Structure of a 12-subunit nuclear exosome complex bound to single- stranded RNA substrates

5C0W · Exosome complex component RRP45: “Structure of a 12-subunit nuclear exosome complex bound to single- stranded RNA substrates”. X-ray diffraction, 2 ligands (MG, ZN), 20 pockets (best druggability 0.84). MolNFT v1 #114811 on…

PDB
5C0W
Type
protein + RNA
Length
3,993 residues
Chains
14
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Exosome complex component RRP45; Exosome complex component SKI6; Exosome complex…
EC
3.1.13.-, 3.1.26.-
UniProt
Q05636, P46948, P25359, P53256, Q12277, P48240, Q08285, P38792, P53859, Q08162, Q12149, P38801
Ligands
MG, ZN
Pockets
20 · best druggability 0.84

Structure

x-ray diffraction · 14 distinct chains · 33% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AExosome complex component RRP45protein29830% helix, 31% strandQ05636
BExosome complex component SKI6protein24429% helix, 29% strandP46948
CExosome complex component RRP43protein32127% helix, 30% strandP25359
DExosome complex component RRP46protein22233% helix, 36% strandP53256
EExosome complex component RRP42protein26626% helix, 32% strandQ12277
FExosome complex component MTR3protein21331% helix, 34% strandP48240
GExosome complex component RRP40protein23621% helix, 29% strandQ08285
HExosome complex component RRP4protein29125% helix, 29% strandP38792
IExosome complex component CSL4protein2254% helix, 44% strandP53859
JExosome complex exonuclease DIS3 (EC 3.1.13.-, 3.1.26.-)protein97034% helix, 25% strandQ08162
KExosome complex exonuclease RRP6 (EC 3.1.13.-)protein57652% helix, 7% strandQ12149
LExosome complex protein LRP1protein11386% helix, 0% strandP38801
RRNA syntheticrna12——
NRNA syntheticrna6——

Ligands and binding sites

  • MG · Magnesium ion · metal · chains J, R
  • ZN · Zinc ion · metal · chains J

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
110180.840.85114empty
23200.800.9144empty
33920.800.8951empty
49540.800.8282empty
58810.790.82101empty

Interfaces

36 interfaces between chains.

  • K–L · 2759 Ų buried · 3 hydrogen bonds · protein-protein
  • E–H · 1799 Ų buried · 29 hydrogen bonds · protein-protein
  • C–F · 1682 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 1571 Ų buried · 23 hydrogen bonds · protein-protein
  • B–J · 1537 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • Q12277 · AlphaFold monomer V2.0 prediction for exosome complex component RRP42 (Q12277) · a predicted model of the same protein · chain E against A, TM-score 0.99
  • P53256 · AlphaFold monomer V2.0 prediction for exosome complex component RRP46 (P53256) · a predicted model of the same protein · chain D against A, TM-score 0.98
  • P48240 · AlphaFold monomer V2.0 prediction for exosome complex component MTR3 (P48240) · a predicted model of the same protein · chain F against A, TM-score 0.97
  • P46948 · AlphaFold monomer V2.0 prediction for exosome complex component SKI6 (P46948) · a predicted model of the same protein · chain B against A, TM-score 0.95
  • P25359 · AlphaFold monomer V2.0 prediction for exosome complex component RRP43 (P25359) · a predicted model of the same protein · chain C against A, TM-score 0.94
  • Q08285 · AlphaFold monomer V2.0 prediction for exosome complex component RRP40 (Q08285) · a predicted model of the same protein · chain G against A, TM-score 0.94
  • Q05636 · AlphaFold monomer V2.0 prediction for exosome complex component RRP45 (Q05636) · a predicted model of the same protein · chain A against A, TM-score 0.94
  • P38801 · AlphaFold monomer V2.0 prediction for exosome complex protein LRP1 (P38801) · a predicted model of the same protein · chain L against A, TM-score 0.93
  • Q12149 · AlphaFold monomer V2.0 prediction for exosome complex exonuclease RRP6 (Q12149) · a predicted model of the same protein · chain K against A, TM-score 0.92
  • P38792 · AlphaFold monomer V2.0 prediction for exosome complex component RRP4 (P38792) · a predicted model of the same protein · chain H against A, TM-score 0.91
  • P53859 · AlphaFold monomer V2.0 prediction for exosome complex component CSL4 (P53859) · a predicted model of the same protein · chain I against A, TM-score 0.84
  • Q08162 · AlphaFold monomer V2.0 prediction for exosome complex exonuclease DIS3 (Q08162) · a predicted model of the same protein · chain J against A, TM-score 0.74

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