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MolNFT v1 · #58197 · protein + RNA

Structure of viral RNA polymerase complex 4

3AVW · Elongation factor ts, elongation factor tu, linker, Q beta…: “Structure of viral RNA polymerase complex 4”. X-ray diffraction, 2 ligands (GH3, CA), 15 pockets (best druggability 0.80). MolNFT v1 #58197 on GenesisL1: 3D structure…

PDB
3AVW
Type
protein + RNA
Length
1,223 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
GH3, CA
Pockets
15 · best druggability 0.80

Structure

x-ray diffraction · 3 distinct chains · 38% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AElongation factor ts, elongation factor tu, linker, Q beta replicaseprotein120338% helix, 24% strandP0A6P3, P0A6N3, Q8LTE0
GRNA (5'-R(*GP*GP*GP*UP*CP*CP*AP*C)-3')rna8——
TRNA (5'-R(*AP*UP*CP*GP*UP*GP*GP*AP*CP*CP*CP*A)-3')rna12——

Ligands and binding sites

  • GH3 · 3'-deoxy-guanosine-5'-triphosphate · ligand · chains A, G, T
  • 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, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111240.800.8287CA, GH3
210070.760.79109empty
33810.750.8657empty
44050.630.7845empty
51110.510.8221empty

Interfaces

3 interfaces between chains.

  • A–T · 1098 Ų buried · 16 hydrogen bonds · protein-nucleic
  • A–G · 710 Ų buried · 10 hydrogen bonds · protein-nucleic
  • G–T · 394 Ų buried · 37 hydrogen bonds · nucleic-nucleic

Compared structures

  • 3AVW · Structure of viral RNA polymerase complex 4 · 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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