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Crystal structure of the complex of proteolytically produced C-terminal half of bovine lactoferrin with lactose at 2.55 A resolution

Analyse Crystal structure of the complex of proteolytically produced C-terminal half of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2H4I
Type
protein
Length
341 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.55
Source
Bos taurus
Molecule
Lactotransferrin
UniProt
P24627
Ligands
NAG, BMA, MAN, GLC, GAL, ZN, FE, CO3, SO4
Pockets
5 · best druggability 0.74

Structure

x-ray diffraction · resolution 2.55 · 1 distinct chain · 32% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALactotransferrinprotein34132% helix, 18% strandP24627

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · 4 copies · chains A
  • MAN · alpha-D-mannopyranose · sugar · 3 copies · chains A
  • GLC · alpha-D-glucopyranose · sugar · chains A
  • GAL · beta-D-galactopyranose · sugar · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A
  • FE · Fe (III) ion · metal · chains A
  • CO3 · Carbonate ion · ion · chains A
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12630.740.8839empty
2910.370.7627empty
3590.310.7514empty
4560.290.7420NAG
5530.290.7512empty

Modifications

Observed in the structure: 10 disulfide, 3 glycan (disulfide, N-glycosylation).

Compared structures

  • 2H4I · Crystal structure of the complex of proteolytically produced C- terminal half of bovine… · the same entry in another collection · chain A against A, TM-score 1.00
  • P24627 · AlphaFold monomer V2.0 prediction for lactotransferrin (P24627) · a predicted model of the same protein · chain A against A, TM-score 0.98

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