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Human epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide

Analyse Human epidermal fatty acid-binding protein (FABP5) in complex with the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4AZR
Type
protein
Length
270 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fatty acid-binding protein, epidermal
UniProt
Q01469
Ligands
A9M, CL
Pockets
1 · best druggability 0.88

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 61% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BFatty acid-binding protein, epidermalprotein13512% helix, 61% strandQ01469

Ligands and binding sites

  • A9M · N-(2-hydroxyethyl)icosanamide · ligand · 2 copies · chains A, B
  • CL · Chloride ion · ion · chains B

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
110110.880.8984A9M

Interfaces

1 interface between chains.

  • A–B · 3717 Ų buried · 46 hydrogen bonds · protein-protein

Compared structures

  • 4AZR · Human epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q01469 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein 5 (Q01469) · a predicted model of the same protein · chain A against A, TM-score 0.55

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