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Crystal structure of the complex of buffalo secretory glycoprotein with tetrasaccharide at 2.8A resolution

Analyse Crystal structure of the complex of buffalo secretory glycoprotein with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2QF8
Type
protein
Length
361 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chitinase-3-like protein 1
UniProt
Q7YS85
Ligands
NAG
Pockets
3 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChitinase-3-like protein 1protein36136% helix, 23% strandQ7YS85

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13620.640.7849NAG
21260.540.8222empty
3670.370.7817empty

Modifications

Observed in the structure: 2 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 2QF8 · Crystal structure of the complex of Buffalo Secretory Glycoprotein with tetrasaccharide… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q7YS85 · AlphaFold monomer V2.0 prediction for chitinase-3-like protein 1 (Q7YS85) · a predicted model of the same protein · chain A against A, TM-score 0.99

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