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Crystal structure of the scan domain from human paternally expressed gene 3 protein

Analyse Crystal structure of the scan domain from human paternally expressed gene 3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4BHX
Type
protein
Length
182 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Paternally-expressed gene 3 protein
UniProt
Q9GZU2
Pockets
2 · best druggability 0.42

Structure

x-ray diffraction · 2 distinct chains · 70% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APaternally-expressed gene 3 proteinprotein9070% helix, 0% strandQ9GZU2
BPaternally-expressed gene 3 proteinprotein9270% helix, 0% strandQ9GZU2

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 21 copies · chains A, B
  • PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B
  • PGE · Triethylene glycol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11680.420.7317PEG, EDO
21270.410.7517PGE

Interfaces

1 interface between chains.

  • A–B · 1806 Ų buried · 24 hydrogen bonds · protein-protein

Compared structures

  • 4BHX · Crystal structure of the SCAN domain from human paternally expressed gene 3 protein · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9GZU2 · AlphaFold monomer V2.0 prediction for paternally-expressed gene 3 protein (Q9GZU2) · a predicted model of the same protein · chain A against A, TM-score 0.86

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