MolNFT v1 · #93743 · protein
Crystal structure of faah in complex with inhibitor
4HBP · Fatty-acid amide hydrolase 1: “Crystal structure of faah in complex with inhibitor”. X-ray diffraction, 1 ligand (17J), 9 pockets (best druggability 0.90). MolNFT v1 #93743 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4HBP
- Type
- protein
- Length
- 1,066 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
- 17J
- Pockets
- 9 · best druggability 0.90
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) | protein | 531 | 45% helix, 14% strand | P97612 |
| B | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) | protein | 535 | 45% helix, 14% strand | P97612 |
Ligands and binding sites
- 17J · 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 996 | 0.90 | 0.91 | 130 | 17J |
| 2 | 327 | 0.77 | 0.88 | 43 | 17J |
| 3 | 101 | 0.40 | 0.76 | 23 | empty |
| 4 | 120 | 0.40 | 0.75 | 23 | empty |
| 5 | 110 | 0.39 | 0.75 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1624 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
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 4HBP · PDBe 4HBP · UniProt P97612
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