Research workbench
Crystal structure of serotonin 2A receptor in complex with psilocin
Analyse Crystal structure of serotonin 2A receptor in complex with psilocin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7WC5
- Type
- protein
- Length
- 363 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5-hydroxytryptamine receptor 2A
- UniProt
- P28223
- Ligands
- CLR, 91Q, MG
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 83% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5-hydroxytryptamine receptor 2A | protein | 363 | 83% helix, 1% strand | P28223 |
Ligands and binding sites
- CLR · Cholesterol · ligand · 2 copies · chains A
- 91Q · 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol · ligand · chains A
- MG · Magnesium ion · metal · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 597 | 0.82 | 0.86 | 64 | OLC, 91Q |
| 2 | 200 | 0.53 | 0.77 | 30 | empty |
| 3 | 113 | 0.43 | 0.77 | 20 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7WC5 · Crystal structure of serotonin 2A receptor in complex with psilocin · the same entry in another collection · chain A against A, TM-score 1.00
- P28223 · AlphaFold monomer V2.0 prediction for 5-hydroxytryptamine receptor 2A (P28223) · a predicted model of the same protein · chain A against A, TM-score 0.85
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 P28223
- Elsewhere: RCSB PDB 7WC5 · PDBe 7WC5 · UniProt P28223
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