MolNFT v1 · #89398 · protein
Structure of faah with a non-steroidal anti-inflammatory drug
4DO3 · Fatty-acid amide hydrolase 1: “Structure of faah with a non-steroidal anti-inflammatory drug”. X-ray diffraction, 3 ligands (OHO, 0LA, CL), 12 pockets (best druggability 0.90). MolNFT v1 #89398 on GenesisL1: 3D structure, binding…
- PDB
- 4DO3
- 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
- 3.5.1.99
- UniProt
- P97612
- Ligands
- OHO, 0LA, CL
- Pockets
- 12 · best druggability 0.90
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 3.5.1.99) | protein | 543 | 48% helix, 13% strand | P97612 |
| B | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) | protein | 544 | 47% helix, 13% strand | P97612 |
Ligands and binding sites
- OHO · Cyclohexane aminocarboxylic acid · ligand · 2 copies · chains A, B
- 0LA · (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid · 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
12 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1078 | 0.90 | 0.91 | 130 | CL, OHO, 0LA |
| 2 | 332 | 0.77 | 0.87 | 39 | OHO, 0LA |
| 3 | 177 | 0.49 | 0.77 | 29 | empty |
| 4 | 55 | 0.47 | 0.85 | 17 | empty |
| 5 | 151 | 0.46 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1666 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 4DO3 · Structure of FAAH with a non-steroidal anti-inflammatory drug · 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 4DO3 · PDBe 4DO3 · UniProt P97612
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