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Anticalin DIGA16 in complex with digitoxigenin

Analyse Anticalin DIGA16 in complex with digitoxigenin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1LNM
Type
protein
Length
160 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DIGA16
UniProt
P09464
Ligands
DTX
Pockets
1 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 18% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADIGA16protein16018% helix, 48% strandP09464

Ligands and binding sites

  • DTX · Digitoxigenin · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13050.800.9036DTX

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 1LNM · Anticalin DIGA16 in complex with digitoxigenin · the same entry in another collection · chain A against A, TM-score 1.00
  • P09464 · AlphaFold monomer V2.0 prediction for bilin-binding protein (P09464) · a predicted model of the same protein · chain A against A, TM-score 0.91

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