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Engineered lipocalin flua in complex with fluorescein

Analyse Engineered lipocalin flua in complex with fluorescein in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1N0S
Type
protein
Length
346 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bilin-binding protein
UniProt
P09464
Ligands
FLU, SO4
Pockets
5 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBilin-binding proteinprotein17315% helix, 48% strandP09464

Ligands and binding sites

  • FLU · 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15070.770.8542FLU
25890.770.8355FLU, SO4
3630.360.7715empty
4580.310.7514empty
5530.310.7613empty

Interfaces

1 interface between chains.

  • A–B · 769 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 1N0S · Engineered lipocalin flua in complex with fluorescein · 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 0.92

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