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Cryo-EM structure of E.COLI retron-EC86 in complex with its effector at 2.8 ångström

Analyse Cryo-EM structure of E.COLI retron-EC86 in complex with its effector at 2.8… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7V9X
Type
protein + DNA + RNA
Length
970 residues
Chains
9
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA-directed DNA polymerase from retron EC86; Retron ST85 family effector protein; DNA…
EC
2.7.7.49
UniProt
P23070, A0A7A0NNW9
Pockets
17 · best druggability 0.80

Structure

electron microscopy · 5 distinct chains · 52% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRNA-directed DNA polymerase from retron EC86 (EC 2.7.7.49)protein31452% helix, 13% strandP23070
CRetron ST85 family effector proteinprotein13252% helix, 8% strandA0A7A0NNW9
D, GDNA (105-mer)dna39——
E, HRNA (81-mer)rna58——
F, IRNA (14-mer)rna8——

Pockets

17 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19460.800.8378empty
211470.780.8087empty
39470.710.7586empty
46490.650.7643empty
53940.620.7730empty

Interfaces

19 interfaces between chains.

  • B–H · 2409 Ų buried · 45 hydrogen bonds · protein-nucleic
  • A–E · 2378 Ų buried · 42 hydrogen bonds · protein-nucleic
  • A–D · 2277 Ų buried · 29 hydrogen bonds · protein-nucleic
  • B–G · 2245 Ų buried · 23 hydrogen bonds · protein-nucleic
  • C–B · 854 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 7V9X · Cryo-EM structure of E.coli retron-Ec86 in complex with its effector at 2.8 angstrom · the same entry in another collection · chain I against I, TM-score 1.00
  • P23070 · AlphaFold monomer V2.0 prediction for RNA-directed DNA polymerase from retron EC86… · a predicted model of the same protein · chain A against A, TM-score 0.94

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