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Poliovirus polymerase elongation complex

Analyse Poliovirus polymerase elongation complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3OL6
Type
protein + RNA
Length
1,984 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polymerase; RNA (5'- R(*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*CP*GP*…
EC
2.7.7.48
UniProt
B3VQP5
Ligands
ZN
Pockets
20 · best druggability 0.84

Structure

x-ray diffraction · 6 distinct chains · 43% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, E, I, MPolymerase (EC 2.7.7.48)protein46143% helix, 13% strandB3VQP5
B, FRNA (5'- R(*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*CP*GP* GP*AP*AP*A)-3')rna17——
C, G, K, ORNA (5'-R(*GP*CP*CP*CP*GP*GP*AP*CP*GP*AP*GP*AP*GP*A)-3')rna14——
D, HRNA (5'-R(*GP*GP*GP*AP*GP*AP*UP*GP*A)-3')rna3——
J, NRNA (5'- R(*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*CP*GP* GP*AP*AP*A)-3')rna18——
L, PRNA (5'-R(*GP*GP*GP*AP*GP*AP*UP*GP*A)-3')rna4——

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, E, I, M
  • IPA · Isopropyl alcohol · additive · 16 copies · chains A, E, G, I, K, M, O

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

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18440.840.8684empty
210950.830.8581IPA
311870.830.8492IPA
47460.830.8674IPA
5800.740.9821empty

Interfaces

27 interfaces between chains.

  • A–B · 1306 Ų buried · 19 hydrogen bonds · protein-nucleic
  • E–F · 1303 Ų buried · 18 hydrogen bonds · protein-nucleic
  • I–J · 1261 Ų buried · 18 hydrogen bonds · protein-nucleic
  • M–N · 1253 Ų buried · 17 hydrogen bonds · protein-nucleic
  • M–O · 749 Ų buried · 13 hydrogen bonds · protein-nucleic

Compared structures

  • 3OL6 · Poliovirus polymerase elongation complex · the same entry in another collection · chain A against A, TM-score 1.00

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