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Structure of oxalate substituted diferric mare lactoferrin from colostrum

Analyse Structure of oxalate substituted diferric mare lactoferrin from colostrum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1B7Z
Type
protein
Length
689 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (lactoferrin)
UniProt
O77811
Ligands
OXL, FE
Pockets
10 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (lactoferrin)protein68937% helix, 19% strandO77811

Ligands and binding sites

  • OXL · Oxalate ion · ligand · 2 copies · chains A
  • FE · Fe (III) ion · metal · 2 copies · chains A

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

Pockets

10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11330.790.9729empty
22600.760.8939empty
32800.660.8236empty
42520.560.7728empty
51530.470.7721empty

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

  • 1B7Z · Structure of oxalate substituted diferric mare lactoferrin from colostrum · the same entry in another collection · chain A against A, TM-score 1.00
  • O77811 · AlphaFold monomer V2.0 prediction for lactotransferrin (O77811) · a predicted model of the same protein · chain A against A, TM-score 0.98

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