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MolNFT v1 · #41120 · protein

Crystal structure of PP32

2JE0 · Acidic leucine-rich nuclear phosphoprotein 32 family member…: “Crystal structure of PP32”. X-ray diffraction, 12 pockets (best druggability 0.61). MolNFT v1 #41120 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2JE0
Type
protein
Length
894 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Acidic leucine-rich nuclear phosphoprotein 32 family member a
UniProt
P39687
Pockets
12 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FAcidic leucine-rich nuclear phosphoprotein 32 family member aprotein14926% helix, 15% strandP39687

Ligands and binding sites

  • GOL · Glycerol · additive · 11 copies · chains A, B, C, D, E, F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1770.610.9019empty
22360.590.8029empty
3720.560.8816empty
41860.500.7731empty
51180.480.8021empty

Interfaces

7 interfaces between chains.

  • B–D · 444 Ų buried · 10 hydrogen bonds · protein-protein
  • C–E · 437 Ų buried · 10 hydrogen bonds · protein-protein
  • A–F · 433 Ų buried · 9 hydrogen bonds · protein-protein
  • C–F · 328 Ų buried · 1 hydrogen bond · protein-protein
  • E–F · 314 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 2JE0 · Crystal Structure of pp32 · the same entry in another collection · chain F against F, TM-score 1.00
  • P39687 · AlphaFold monomer V2.0 prediction for acidic leucine-rich nuclear phosphoprotein 32… · a predicted model of the same protein · chain C against A, TM-score 0.99

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