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MolNFT v1 · #184672 · protein + RNA

Dimeric form of SARS-cov-2 RNA-dependent RNA polymerase

7OYG · SARS-cov-2 RNA-dependent RNA polymerase (NSP12): “Dimeric form of SARS-cov-2 RNA-dependent RNA polymerase”. Electron microscopy, 1 ligand (ZN), 20 pockets (best druggability 0.80). MolNFT v1 #184672 on GenesisL1: 3D structure…

PDB
7OYG
Type
protein + RNA
Length
1,958 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SARS-cov-2 RNA-dependent RNA polymerase (NSP12); SARS-cov-2 NSP8; SARS-cov-2 NSP7; RNA…
EC
3.4.19.12, 3.4.22.-, 3.4.22.69, 2.7.7.48, 3.6.4.12, 3.6.4.13, 3.1.13.-, 3.1.-.-, 2.1.1.-
UniProt
P0DTD1
Ligands
ZN
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 5 distinct chains · 47% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DSARS-cov-2 RNA-dependent RNA polymerase (NSP12) (EC 3.4.19.12, 3.4.22.-, 3.4.22.69, 2.7.7.48, 3.6.4.12, 3.6.4.13, 3.1.13.-, 3.1.-.-, 2.1.1.-)protein81446% helix, 16% strandP0DTD1
B, ESARS-cov-2 NSP8 (EC 3.4.19.12, 3.4.22.-, 3.4.22.69, 2.7.7.48, 3.6.4.12, 3.6.4.13, 3.1.13.-, 3.1.-.-, 2.1.1.-)protein8121% helix, 36% strandP0DTD1
C, FSARS-cov-2 NSP7 (EC 3.4.19.12, 3.4.22.-, 3.4.22.69, 2.7.7.48, 3.6.4.12, 3.6.4.13, 3.1.13.-, 3.1.-.-, 2.1.1.-)protein6287% helix, 0% strandP0DTD1
P, GRNA (5'-R(P*CP*UP*AP*CP*GP*CP*AP*GP*UP*G)-3')rna10——
T, HRNA (5'-R(P*UP*GP*CP*AP*CP*UP*GP*CP*GP*UP*AP*G)-3')rna12——

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11390.800.9727empty
29510.800.8281empty
310570.800.8278empty
41370.790.9727empty
55050.700.8070empty

Interfaces

13 interfaces between chains.

  • D–E · 1444 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 1435 Ų buried · 9 hydrogen bonds · protein-protein
  • D–H · 1096 Ų buried · 24 hydrogen bonds · protein-nucleic
  • A–T · 1092 Ų buried · 24 hydrogen bonds · protein-nucleic
  • A–C · 820 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 7OYG · Dimeric form of SARS-CoV-2 RNA-dependent RNA polymerase · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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