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SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9

Analyse SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7THM
Type
protein
Length
1,150 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.18
Source
Severe acute respiratory syndrome coronavirus 2
Molecule
RNA-directed RNA polymerase; Non-structural protein 8; Non-structural protein 7…
EC
2.7.7.48
UniProt
P0DTD1
Ligands
POP, ZN, MN
Pockets
18 · best druggability 0.66

Structure

electron microscopy · resolution 3.18 · 5 distinct chains · 39% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA-directed RNA polymerase (EC 2.7.7.48)protein86042% helix, 14% strandP0DTD1
BNon-structural protein 8protein10833% helix, 23% strandP0DTD1
CNon-structural protein 7protein3770% helix, 0% strandP0DTD1
DNon-structural protein 8protein7132% helix, 25% strandP0DTD1
GNon-structural protein 9protein7411% helix, 22% strandP0DTD1

Ligands and binding sites

  • POP · Pyrophosphate 2- · ligand · chains A, G
  • ZN · Zinc ion · metal · 2 copies · chains A
  • MN · Manganese (II) ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14330.660.7949empty
24590.640.7754empty
31270.590.8528empty
41530.580.8330empty
52000.570.8038MN, POP

Interfaces

6 interfaces between chains.

  • A–B · 2265 Ų buried · 15 hydrogen bonds · protein-protein
  • A–G · 844 Ų buried · 9 hydrogen bonds · protein-protein
  • C–D · 764 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 507 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 100 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7THM · SARS-cov-2 NSP12/7/8 complex with a native N-terminus NSP9 · the same entry in another collection · chain A against A, TM-score 1.00

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