Research workbench
Crystal structure of serotonin 2A receptor in complex with lumateperone
Analyse Crystal structure of serotonin 2A receptor in complex with lumateperone in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7WC8
- Type
- protein
- Length
- 360 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,SOLUBLE cytochrome B562
- UniProt
- P28223
- Ligands
- CLR, 92S, MG
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 83% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,SOLUBLE cytochrome B562 | protein | 360 | 83% helix, 1% strand | P28223 |
Ligands and binding sites
- CLR · Cholesterol · ligand · 4 copies · chains A
- 92S · 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5, 7,9(16)-trien-12-yl]butan-1-one · ligand · chains A
- MG · Magnesium ion · metal · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 11 copies · chains A
- 1PE · Pentaethylene glycol · 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
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 495 | 0.80 | 0.87 | 56 | OLC, 92S |
| 2 | 106 | 0.48 | 0.80 | 21 | empty |
| 3 | 138 | 0.48 | 0.78 | 19 | PEG |
| 4 | 57 | 0.27 | 0.74 | 15 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7WC8 · Crystal structure of serotonin 2A receptor in complex with lumateperone · 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 7WC8 · PDBe 7WC8 · UniProt P28223
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