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MolNFT v1 · #141077 · protein

Crystal structure of full length NS2B47-NS3 (GD4NS2BNS3) from dengue virus 4 in open conformation

5YVJ · Genome polyprotein: “Crystal structure of full length NS2B47-NS3 (GD4NS2BNS3) from dengue virus 4 in open conformation”. X-ray diffraction, 4 pockets (best druggability 0.82). MolNFT v1 #141077 on GenesisL1: 3D structure, binding…

PDB
5YVJ
Type
protein
Length
604 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Genome polyprotein
UniProt
F8TEL4, Q2YHE8
Pockets
4 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BGenome polyproteinprotein58925% helix, 25% strandF8TEL4
CGenome polyproteinprotein150% helix, 47% strandQ2YHE8

Ligands and binding sites

  • GOL · Glycerol · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111100.820.8391empty
26080.710.7960GOL
3630.290.7413empty
4610.270.7416empty

Interfaces

1 interface between chains.

  • B–C · 1134 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 5YVJ · Crystal structure of full length NS2B47-NS3 (gD4NS2BNS3) from Dengue virus 4 in open… · the same entry in another collection · chain B against B, TM-score 1.00

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