GL1X · GenesisL1 explorer

MolNFT v1 · #107278 · protein

Importin-alpha minor nls site inhibitor

4U5N · Importin subunit alpha-1: “Importin-alpha minor nls site inhibitor”. X-ray diffraction, 1 ligand (3D4), 1 pocket (best druggability 0.48). MolNFT v1 #107278 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4U5N
Type
protein
Length
426 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Importin subunit alpha-1
UniProt
P52293
Ligands
3D4
Pockets
1 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AImportin subunit alpha-1protein42673% helix, 0% strandP52293

Ligands and binding sites

  • 3D4 · N~2~-[4-(pyridin-3-yl)benzyl]-L-lysyl-N-[(1R,2S,3R)-1-{[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino}-1,3-dihydroxybutan-2-yl]glycinamide · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1630.480.8413empty

Compared structures

  • 4U5N · Importin-alpha minor nls site inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
  • P52293 · AlphaFold monomer V2.0 prediction for importin subunit alpha-1 (P52293) · a predicted model of the same protein · chain A against A, TM-score 0.99

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