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MolNFT v1 · #118507 · protein

Dengue serotype 3 RNA-dependent RNA polymerase bound to pc-79-SH52

5F3Z · Genome polyprotein: “Dengue serotype 3 RNA-dependent RNA polymerase bound to pc-79-SH52”. X-ray diffraction, 2 ligands (5V5, ZN), 5 pockets (best druggability 0.69). MolNFT v1 #118507 on GenesisL1: 3D structure, binding sites and…

PDB
5F3Z
Type
protein
Length
585 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Genome polyprotein
UniProt
Q6DLV0
Ligands
5V5, ZN
Pockets
5 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGenome polyproteinprotein58550% helix, 10% strandQ6DLV0

Ligands and binding sites

  • 5V5 · 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic 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

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17680.690.76695V5
21690.540.8033empty
3930.450.8025empty
4560.440.8316empty
5530.250.7315empty

Compared structures

  • 5F3Z · Dengue serotype 3 RNA-dependent RNA polymerase bound to PC-79-SH52 · the same entry in another collection · chain A against A, TM-score 1.00

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