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MolNFT v1 · #123251 · protein + RNA

Structure of a cytoplasmic 11-subunit RNA exosome complex including SKI7, bound to RNA

5JEA · Exosome complex component RRP45: “Structure of a cytoplasmic 11-subunit RNA exosome complex including SKI7, bound to RNA”. X-ray diffraction, 2 ligands (NA, ZN), 20 pockets (best druggability 0.86). MolNFT v1 #123251 on GenesisL1…

PDB
5JEA
Type
protein + RNA
Length
3,445 residues
Chains
12
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.-, 3.2.1.17
UniProt
Q05636, P46948, P25359, P53256, Q12277, P48240, Q08285, P38792, P53859, Q08162, Q08491, P00720
Ligands
NA, ZN
Pockets
20 · best druggability 0.86

Structure

x-ray diffraction · 12 distinct chains · 29% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AExosome complex component RRP45protein29931% helix, 30% strandQ05636
BExosome complex component SKI6protein24329% helix, 30% strandP46948
CExosome complex component RRP43protein31426% helix, 33% strandP25359
DExosome complex component RRP46protein22434% helix, 36% strandP53256
EExosome complex component RRP42protein25626% helix, 32% strandQ12277
FExosome complex component MTR3protein21032% helix, 35% strandP48240
GExosome complex component RRP40protein23517% helix, 29% strandQ08285
HExosome complex component RRP4protein28227% helix, 30% strandP38792
IExosome complex component CSL4protein2356% helix, 42% strandP53859
JExosome complex exonuclease DIS3 (EC 3.1.13.-, 3.1.26.-)protein93632% helix, 25% strandQ08162
KSuperkiller protein 7,ENDOLYSIN (EC 3.2.1.17)protein18556% helix, 1% strandQ08491, P00720
RRNA (29-mer)rna26——

Ligands and binding sites

  • NA · Sodium ion · metal · 4 copies · chains B, F, J
  • ZN · Zinc ion · metal · chains J
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 7 copies · chains A, C, D, G, B, 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
14830.860.9361MPD
210630.850.8690empty
36790.820.8778empty
44910.820.8985empty
511380.780.8092empty

Interfaces

34 interfaces between chains.

  • A–B · 1905 Ų buried · 35 hydrogen bonds · protein-protein
  • F–I · 1717 Ų buried · 16 hydrogen bonds · protein-protein
  • I–K · 1711 Ų buried · 18 hydrogen bonds · protein-protein
  • C–F · 1664 Ų buried · 10 hydrogen bonds · protein-protein
  • J–R · 1632 Ų buried · 51 hydrogen bonds · protein-nucleic

Compared structures

  • 5JEA · Structure of a cytoplasmic 11-subunit RNA exosome complex including Ski7, bound to RNA · the same entry in another collection · chain R against R, TM-score 1.00

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