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Crystal structure of DLN1

Analyse Crystal structure of DLN1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5DI0
Type
protein
Length
636 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Natterin-like protein
UniProt
Q5CZR5
Ligands
CL
Pockets
11 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 64% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNatterin-like proteinprotein3182% helix, 64% strandQ5CZR5

Ligands and binding sites

  • CL · Chloride ion · ion · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 12 copies · chains A, B
  • PEG · Di(hydroxyethyl)ether · additive · 8 copies · chains A, B
  • PGE · Triethylene glycol · additive · 7 copies · chains A, B
  • PG4 · Tetraethylene glycol · additive · 6 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11020.500.8124PG4
2940.490.8223PGE
3920.410.7820PG4
4990.400.7719empty
51190.370.7325empty

Interfaces

1 interface between chains.

  • A–B · 1606 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 5DI0 · Crystal structure of Dln1 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5CZR5 · AlphaFold monomer V2.0 prediction for aerolysin-like protein (Q5CZR5) · a predicted model of the same protein · chain B against A, TM-score 0.98

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