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Zika NS5 polymerase domain

Analyse Zika NS5 polymerase domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6LD2
Type
protein
Length
565 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.4
Source
Zika virus (isolate ZIKV/Human/French Polynesia/10087PF/2013)
Molecule
RNA-directed RNA polymerase NS5
EC
2.1.1.56, 2.1.1.57, 2.7.7.48
UniProt
A0A024B7W1
Ligands
KY3, ZN
Pockets
7 · best druggability 0.71

Structure

x-ray diffraction · resolution 1.4 · 1 distinct chain · 48% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA-directed RNA polymerase NS5 (EC 2.1.1.56, 2.1.1.57, 2.7.7.48)protein56548% helix, 10% strandA0A024B7W1

Ligands and binding sites

  • KY3 · (1S,2S,4S,5R)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid · ligand · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19450.710.7665KY3
2630.490.8528empty
3630.360.7817empty
4860.330.7415empty
5680.280.7317empty

Compared structures

  • 6LD2 · Zika NS5 polymerase domain · the same entry in another collection · chain A against A, TM-score 1.00

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