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COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex

Analyse COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7BZF
Type
protein + RNA
Length
1,219 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA-directed RNA polymerase; Non-structural protein 8; Non-structural protein 7; RNA…
EC
2.7.7.48
UniProt
P0DTD1
Ligands
ZN
Pockets
13 · best druggability 0.79

Structure

electron microscopy · 6 distinct chains · 37% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA-directed RNA polymerase (EC 2.7.7.48)protein91437% helix, 14% strandP0DTD1
BNon-structural protein 8protein11432% helix, 26% strandP0DTD1
CNon-structural protein 7protein6868% helix, 0% strandP0DTD1
DNon-structural protein 8protein10419% helix, 22% strandP0DTD1
FRNA (31-mer)rna10——
GRNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*CP*AP*CP*A)-3')rna9——

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A

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

Pockets

13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19430.790.8271empty
21060.770.9720empty
3560.670.9521empty
44290.640.7841empty
52260.580.8037empty

Interfaces

8 interfaces between chains.

  • A–B · 2484 Ų buried · 14 hydrogen bonds · protein-protein
  • C–D · 1195 Ų buried · 6 hydrogen bonds · protein-protein
  • A–F · 966 Ų buried · 16 hydrogen bonds · protein-nucleic
  • A–C · 888 Ų buried · 9 hydrogen bonds · protein-protein
  • A–G · 642 Ų buried · 8 hydrogen bonds · protein-nucleic

Compared structures

  • 7BZF · COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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