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MolNFT v1 · #58195 · protein + RNA

Structure of viral RNA polymerase complex 2

3AVU · Elongation factor ts, elongation factor tu, linker, Q beta…: “Structure of viral RNA polymerase complex 2”. X-ray diffraction, 1 ligand (CA), 15 pockets (best druggability 0.83). MolNFT v1 #58195 on GenesisL1: 3D structure, binding…

PDB
3AVU
Type
protein + RNA
Length
1,219 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Elongation factor ts, elongation factor tu, linker, Q beta replicase; RNA…
UniProt
P0A6P3, P0A6N3, Q8LTE0
Ligands
CA
Pockets
15 · best druggability 0.83

Structure

x-ray diffraction · 3 distinct chains · 36% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AElongation factor ts, elongation factor tu, linker, Q beta replicaseprotein120336% helix, 21% strandP0A6P3, P0A6N3, Q8LTE0
GRNA (5'-R(*GP*GP*GP*UP*CP*CP*A)-3')rna7——
TRNA (5'-R(*AP*UP*CP*GP*UP*GP*GP*AP*CP*CP*CP*A)-3')rna9——

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A, G

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19430.830.8498CA
26390.690.7873empty
33190.630.8050empty
41350.530.8126empty
51080.500.8121empty

Interfaces

3 interfaces between chains.

  • A–T · 977 Ų buried · 18 hydrogen bonds · protein-nucleic
  • A–G · 740 Ų buried · 20 hydrogen bonds · protein-nucleic
  • G–T · 367 Ų buried · 30 hydrogen bonds · nucleic-nucleic

Compared structures

  • 3AVU · Structure of viral RNA polymerase complex 2 · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A6P3 · AlphaFold monomer V2.0 prediction for elongation factor ts (P0A6P3) · a predicted model of the same protein · chain A against A, TM-score 0.20
  • P0A6N3 · AlphaFold monomer V2.0 prediction for elongation factor tu (P0A6N3) · a predicted model of the same protein · chain A against A, TM-score 0.19

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