MolNFT v1 · #86220 · protein
Human epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide
4AZR · Fatty acid-binding protein, epidermal: “Human epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide”. X-ray diffraction, 2 ligands (A9M, CL), 1 pocket (best druggability 0.88). MolNFT v1 #86220…
- 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).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fatty acid-binding protein, epidermal | protein | 135 | 12% helix, 61% strand | Q01469 |
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1011 | 0.88 | 0.89 | 84 | A9M |
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
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q01469
- Elsewhere: RCSB PDB 4AZR · PDBe 4AZR · UniProt Q01469
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