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Crystal Structure of viral RdRp in complex with GTP

Analyse Crystal Structure of viral RdRp in complex with GTP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4HDG
Type
protein
Length
1,224 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.38
Source
Japanese encephalitis virus
Molecule
Polyprotein
EC
2.7.7.48
UniProt
G3LHD9
Ligands
GTP, ZN
Pockets
10 · best druggability 0.87

Structure

x-ray diffraction · resolution 2.38 · 1 distinct chain · 47% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPolyprotein (EC 2.7.7.48)protein61247% helix, 12% strandG3LHD9

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 4 copies · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18580.870.90108empty
28360.860.8885GTP
34310.830.9168GTP
41150.660.8925empty
5510.620.9316empty

Interfaces

1 interface between chains.

  • A–B · 1308 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 4HDG · Crystal structure of viral rdrp in complex with GTP · the same entry in another collection · chain A against A, TM-score 1.00

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