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Crystal structure of aluminum-bound ovotransferrin at 2.15 ångström resolution

Analyse Crystal structure of aluminum-bound ovotransferrin at 2.15 ångström resolution in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2D3I
Type
protein
Length
670 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ovotransferrin
UniProt
P02789
Ligands
BCT, AL
Pockets
10 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOvotransferrinprotein67036% helix, 19% strandP02789

Ligands and binding sites

  • BCT · Bicarbonate ion · ligand · 2 copies · chains A
  • AL · Aluminum 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
12300.800.9439empty
24390.770.8655empty
32820.570.7731empty
42090.540.7821empty
5620.480.8517empty

Modifications

Observed in the structure: 15 disulfide (disulfide).

Compared structures

  • 2D3I · Crystal Structure of Aluminum-Bound Ovotransferrin at 2.15 Angstrom Resolution · the same entry in another collection · chain A against A, TM-score 1.00
  • P02789 · AlphaFold monomer V2.0 prediction for ovotransferrin (P02789) · a predicted model of the same protein · chain A against A, TM-score 0.99

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