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MolNFT v1 · #62395 · protein

Structure of NS1 effector domain

3EE8 · Non-structural protein 1: “Structure of NS1 effector domain”. X-ray diffraction, 1 pocket (best druggability 0.50). MolNFT v1 #62395 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3EE8
Type
protein
Length
243 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Non-structural protein 1
UniProt
P03495
Pockets
1 · best druggability 0.50

Structure

x-ray diffraction · 2 distinct chains · 24% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANon-structural protein 1protein12225% helix, 39% strandP03495
BNon-structural protein 1protein12123% helix, 40% strandP03495

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12490.500.7423empty

Interfaces

1 interface between chains.

  • A–B · 445 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 3EE8 · Structure of NS1 effector domain · the same entry in another collection · chain A against A, TM-score 1.00

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