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The crystal structures of ykl-39 in the absence of chitooligosaccharides was solved to resolutions of 2.4 ångström

Analyse The crystal structures of ykl-39 in the absence of chitooligosaccharides was… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4P8U
Type
protein
Length
365 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chitinase-3-like protein 2
UniProt
Q15782
Ligands
SO4
Pockets
3 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChitinase-3-like protein 2protein36535% helix, 23% strandQ15782

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14070.620.7643PEG
2860.330.7419empty
3720.290.7319empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 4P8U · The crystal structures of YKL-39 in the absence of chitooligosaccharides was solved to… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q15782 · AlphaFold monomer V2.0 prediction for chitinase-3-like protein 2 (Q15782) · a predicted model of the same protein · chain A against A, TM-score 0.99

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