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Crystal structure of the complex formed between goat signalling protein with pentasaccharide at 2.9A resolution

Analyse Crystal structure of the complex formed between goat signalling protein with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2DT2
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
Q8SPQ0
Ligands
NAG
Pockets
3 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChitinase-3-like protein 1protein36136% helix, 24% strandQ8SPQ0

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 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
14740.700.8058NAG
22010.530.7826empty
3520.310.7615empty

Modifications

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

Compared structures

  • 2DT2 · Crystal structure of the complex formed between goat signalling protein with… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8SPQ0 · AlphaFold monomer V2.0 prediction for chitinase-3-like protein 1 (Q8SPQ0) · a predicted model of the same protein · chain A against A, TM-score 0.99

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