Research workbench
3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with 7-phenyl-1-(4-(pyridin-2-yl)oxazol-2-yl)heptan- 1-one, an alpha-ketooxazole
Analyse 3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WJ1
- Type
- protein
- Length
- 1,087 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.84
- Source
- RATTUS NORVEGICUS
- Molecule
- Fatty-acid amide hydrolase 1
- EC
- 3.5.1.4
- UniProt
- P97612
- Ligands
- S99, CL
- Pockets
- 11 · best druggability 0.88
Structure
x-ray diffraction · resolution 1.84 · 2 distinct chains · 47% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty-acid amide hydrolase 1 (EC 3.5.1.4) | protein | 543 | 47% helix, 13% strand | P97612 |
| B | Fatty-acid amide hydrolase 1 (EC 3.5.1.4) | protein | 544 | 47% helix, 13% strand | P97612 |
Ligands and binding sites
- S99 · 7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1112 | 0.88 | 0.89 | 100 | S99, CL |
| 2 | 305 | 0.78 | 0.89 | 35 | S99 |
| 3 | 309 | 0.77 | 0.88 | 37 | S99 |
| 4 | 233 | 0.55 | 0.78 | 36 | empty |
| 5 | 52 | 0.46 | 0.85 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1588 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 2WJ1 · 3D-crystal structure of humanized-rat fatty acid amide hydrolase (faah) conjugated with… · the same entry in another collection · chain A against A, TM-score 1.00
- P97612 · AlphaFold monomer V2.0 prediction for fatty-acid amide hydrolase 1 (P97612) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 P97612
- Elsewhere: RCSB PDB 2WJ1 · PDBe 2WJ1 · UniProt P97612
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.