MolNFT v1 · #53048 · protein
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
2WJ1 · Fatty-acid amide hydrolase 1: “3D-crystal structure of humanized-rat fatty acid amide hydrolase (faah) conjugated with…”. X-ray diffraction, 2 ligands (S99, CL), 11 pockets (best druggability 0.88). MolNFT v1 #53048 on GenesisL1: 3D…
- PDB
- 2WJ1
- Type
- protein
- Length
- 1,087 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- 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 · 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 B against B, 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
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