Research workbench
Cannabinoid receptor 1-G protein complex
Analyse Cannabinoid receptor 1-G protein complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6N4B
- Type
- protein
- Length
- 1,121 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanine nucleotide-binding protein G(I) subunit alpha-1; Guanine nucleotide-binding…
- UniProt
- P63096, P62873, P59768, P21554
- Ligands
- CLR, KCA
- Pockets
- 15 · best druggability 0.82
Structure
electron microscopy · 5 distinct chains · 31% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanine nucleotide-binding protein G(I) subunit alpha-1 | protein | 218 | 43% helix, 17% strand | P63096 |
| B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 338 | 5% helix, 44% strand | P62873 |
| C | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 57 | 32% helix, 0% strand | P59768 |
| R | Cannabinoid receptor 1 | protein | 276 | 77% helix, 0% strand | P21554 |
| S | SCFV16 | protein | 232 | 1% helix, 41% strand | — |
Ligands and binding sites
- CLR · Cholesterol · ligand · 2 copies · chains R
- KCA · methyl N-{1-[(4-fluorophenyl)methyl]-1H-indazole-3-carbonyl}-3-methyl-L-valinate · ligand · chains R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 912 | 0.82 | 0.84 | 67 | empty |
| 2 | 483 | 0.80 | 0.86 | 42 | KCA |
| 3 | 99 | 0.71 | 0.94 | 34 | empty |
| 4 | 869 | 0.70 | 0.75 | 86 | empty |
| 5 | 506 | 0.69 | 0.79 | 65 | empty |
Interfaces
5 interfaces between chains.
- B–C · 2189 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 1054 Ų buried · 3 hydrogen bonds · protein-protein
- A–R · 941 Ų buried · 2 hydrogen bonds · protein-protein
- A–S · 572 Ų buried · 7 hydrogen bonds · protein-protein
- B–S · 377 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6N4B · Cannabinoid Receptor 1-G Protein Complex · the same entry in another collection · chain C against C, TM-score 1.00
- P62873 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(T)… · a predicted model of the same protein · chain B against A, TM-score 0.99
- P21554 · AlphaFold monomer V2.0 prediction for cannabinoid receptor 1 (P21554) · a predicted model of the same protein · chain R against A, TM-score 0.94
- P59768 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(O)… · a predicted model of the same protein · chain C against A, TM-score 0.82
- P63096 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I) subunit… · a predicted model of the same protein · chain A against A, TM-score 0.80
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 P63096
- Every structure of UniProt P62873
- Every structure of UniProt P59768
- Every structure of UniProt P21554
- Elsewhere: RCSB PDB 6N4B · PDBe 6N4B · UniProt P63096 · UniProt P62873 · UniProt P59768 · UniProt P21554
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