Research workbench
Crystal structure of the human cannabinoid receptor CB1
Analyse Crystal structure of the human cannabinoid receptor CB1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5TGZ
- Type
- protein
- Length
- 439 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cannabinoid receptor 1,FLAVODOXIN,CANNABINOID receptor 1
- UniProt
- P21554, P00323
- Ligands
- OLA, ZDG, FMN
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 64% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cannabinoid receptor 1,FLAVODOXIN,CANNABINOID receptor 1 | protein | 439 | 64% helix, 8% strand | P21554, P00323 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 3 copies · chains A
- ZDG · 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate · ligand · chains A
- FMN · Flavin mononucleotide · ligand · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 626 | 0.79 | 0.84 | 65 | ZDG |
| 2 | 329 | 0.70 | 0.83 | 40 | OLA |
| 3 | 96 | 0.46 | 0.80 | 25 | FMN |
| 4 | 81 | 0.42 | 0.79 | 16 | empty |
| 5 | 70 | 0.41 | 0.79 | 12 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5TGZ · Crystal Structure of the Human Cannabinoid Receptor CB1 · the same entry in another collection · chain A against A, TM-score 1.00
- P21554 · AlphaFold monomer V2.0 prediction for cannabinoid receptor 1 (P21554) · a predicted model of the same protein · chain A against A, TM-score 0.62
- P00323 · AlphaFold monomer V2.0 prediction for flavodoxin (P00323) · a predicted model of the same protein · chain A against A, TM-score 0.33
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 P21554
- Every structure of UniProt P00323
- Elsewhere: RCSB PDB 5TGZ · PDBe 5TGZ · UniProt P21554 · UniProt P00323
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