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Crystal structure of the complex of C-lobe of bovine lactoferrin with maltose at 1.5A resolution

Analyse Crystal structure of the complex of C-lobe of bovine lactoferrin with maltose… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2B65
Type
protein
Length
341 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lactotransferrin
UniProt
P24627
Ligands
NAG, MAN, GLC, BMA, ZN, FE, SO4, CO3
Pockets
2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALactotransferrinprotein34135% helix, 18% strandP24627

Ligands and binding sites

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

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12450.730.8740empty
21120.440.7823empty

Modifications

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

Compared structures

  • 2B65 · Crystal structure of the complex of C-lobe of bovine lactoferrin with maltose at 1.5A… · the same entry in another collection · chain A against A, TM-score 1.00

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