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Bovine beta lactoglobulin crystallized through ligandation of yttrium cations

Analyse Bovine beta lactoglobulin crystallized through ligandation of yttrium cations in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3PH5
Type
protein
Length
315 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-lactoglobulin
UniProt
P02754
Ligands
YT3, CL
Pockets
2 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 16% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-lactoglobulinprotein15916% helix, 43% strandP02754
BBeta-lactoglobulinprotein15616% helix, 42% strandP02754

Ligands and binding sites

  • YT3 · Yttrium (III) ion · metal · 4 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · 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
13920.610.7637empty
2740.320.7419empty

Interfaces

1 interface between chains.

  • A–B · 502 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 3PH5 · Bovine beta lactoglobulin crystallized through ligandation of yttrium cations · the same entry in another collection · chain A against A, TM-score 1.00
  • P02754 · AlphaFold monomer V2.0 prediction for beta-lactoglobulin (P02754) · a predicted model of the same protein · chain A against A, TM-score 1.00

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