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Crystal structure of the P. abyssi exosome RNase pH ring complexed with a single stranded 10-mer POLY(A) RNA

Analyse Crystal structure of the P. abyssi exosome RNase pH ring complexed with a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2PO1
Type
protein + RNA
Length
510 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
10-mer POLY(A); Probable exosome complex exonuclease 1; Probable exosome complex…
EC
3.1.13.-
UniProt
Q9V119, Q9V118
Pockets
4 · best druggability 0.54

Structure

x-ray diffraction · 3 distinct chains · 33% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C10-mer POLY(A)rna7——
AProbable exosome complex exonuclease 1 (EC 3.1.13.-)protein23635% helix, 31% strandQ9V119
BProbable exosome complex exonuclease 2 (EC 3.1.13.-)protein26731% helix, 34% strandQ9V118

Ligands and binding sites

  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 5 copies · chains C, A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11280.540.8222empty
21240.490.7916MPD
3650.300.7513empty
4560.280.7417empty

Interfaces

3 interfaces between chains.

  • A–B · 1245 Ų buried · 27 hydrogen bonds · protein-protein
  • C–A · 531 Ų buried · 6 hydrogen bonds · protein-nucleic
  • C–B · 16 Ų buried · 0 hydrogen bonds · protein-nucleic

Compared structures

  • 2PO1 · Crystal structure of the P. abyssi exosome RNase PH ring complexed with a single stranded… · the same entry in another collection · chain C against C, TM-score 1.00
  • Q9V119 · AlphaFold monomer V2.0 prediction for exosome complex component RRP41 (Q9V119) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • Q9V118 · AlphaFold monomer V2.0 prediction for exosome complex component RRP42 (Q9V118) · a predicted model of the same protein · chain B against A, TM-score 0.98

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