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Crystal structure of the P. abyssi exosome RNase pH ring complexed with cdp

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

PDB
2PO2
Type
protein
Length
503 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable exosome complex exonuclease 1; Probable exosome complex exonuclease 2
EC
3.1.13.-
UniProt
Q9V119, Q9V118
Ligands
CDP
Pockets
4 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable exosome complex exonuclease 1 (EC 3.1.13.-)protein23632% helix, 31% strandQ9V119
BProbable exosome complex exonuclease 2 (EC 3.1.13.-)protein26731% helix, 34% strandQ9V118

Ligands and binding sites

  • CDP · Cytidine-5'-diphosphate · ligand · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 5 copies · chains 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
11320.580.8320empty
21110.480.7916MPD
31300.450.7724CDP
4900.350.7524empty

Interfaces

1 interface between chains.

  • A–B · 1200 Ų buried · 24 hydrogen bonds · protein-protein

Compared structures

  • 2PO2 · Crystal structure of the P. abyssi exosome RNase PH ring complexed with CDP · the same entry in another collection · chain A against A, 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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