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Solution-state structures of oleate-liganded lfabp, major form of 1:2 protein-ligand complex

Analyse Solution-state structures of oleate-liganded lfabp, major form of 1:2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2JU8
Type
protein
Length
127 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fatty acid-binding protein, liver
UniProt
P02692
Ligands
OLA
Pockets
1 · best druggability 0.80

Structure

solution nmr · 1 distinct chain · 12% helix, 58% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFatty acid-binding protein, liverprotein12712% helix, 58% strandP02692

Ligands and binding sites

  • OLA · Oleic acid · ligand · 2 copies · 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
111000.800.8177OLA

Compared structures

  • 2JU8 · Solution-State Structures of Oleate-Liganded LFABP, Major Form of 1:2 Protein-Ligand… · the same entry in another collection · chain A against A, TM-score 1.00
  • P02692 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein, liver (P02692) · a predicted model of the same protein · chain A against A, TM-score 0.87

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