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MolNFT v1 · #71237 · protein + RNA

Archaeoglobus fulgidus exosome Y70A with RNA bound to the active site

3M85 · Putative uncharacterized protein AF_0206: “Archaeoglobus fulgidus exosome Y70A with RNA bound to the active site”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.79). MolNFT v1 #71237 on GenesisL1: 3D structure…

PDB
3M85
Type
protein + RNA
Length
2,058 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative uncharacterized protein AF_0206; Probable exosome complex exonuclease 1…
EC
3.1.13.-
UniProt
O30033, O29757, O29756
Ligands
ZN
Pockets
20 · best druggability 0.79

Structure

x-ray diffraction · 7 distinct chains · 28% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CPutative uncharacterized protein AF_0206protein1794% helix, 41% strandO30033
DProbable exosome complex exonuclease 1 (EC 3.1.13.-)protein24333% helix, 32% strandO29757
EProbable exosome complex exonuclease 1 (EC 3.1.13.-)protein24532% helix, 34% strandO29757
FProbable exosome complex exonuclease 1 (EC 3.1.13.-)protein24633% helix, 35% strandO29757
G, HProbable exosome complex exonuclease 2 (EC 3.1.13.-)protein25829% helix, 29% strandO29756
IProbable exosome complex exonuclease 2 (EC 3.1.13.-)protein25929% helix, 30% strandO29756
X, Y, Z5'-R(*CP*UP*CP*CP*CP*C)-3'rna4——

Ligands and binding sites

  • ZN · Zinc ion · metal · 3 copies · chains A, B, C

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

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19780.790.8190empty
29410.780.8184empty
36560.710.7958empty
42640.710.8525empty
57720.710.7782empty

Interfaces

26 interfaces between chains.

  • E–H · 1539 Ų buried · 27 hydrogen bonds · protein-protein
  • F–I · 1525 Ų buried · 34 hydrogen bonds · protein-protein
  • D–G · 1490 Ų buried · 25 hydrogen bonds · protein-protein
  • D–I · 1425 Ų buried · 17 hydrogen bonds · protein-protein
  • E–G · 1365 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 3M85 · Archaeoglobus fulgidus exosome y70a with RNA bound to the active site · the same entry in another collection · chain Z against Z, TM-score 1.00

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