MolNFT v1 · #168442 · protein
Crystal structure of HTR2A with hallucinogenic agonist
6WGT · 5-hydroxytryptamine receptor 2A,SOLUBLE cytochrome B562…: “Crystal structure of HTR2A with hallucinogenic agonist”. X-ray diffraction, 4 ligands (7LD, OLA, CLR), 15 pockets (best druggability 0.81). MolNFT v1 #168442 on GenesisL1…
- PDB
- 6WGT
- Type
- protein
- Length
- 1,111 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5-hydroxytryptamine receptor 2A,SOLUBLE cytochrome B562 fusion
- UniProt
- P28223, P0ABE7
- Ligands
- 7LD, OLA, CLR, PO4
- Pockets
- 15 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 80% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5-hydroxytryptamine receptor 2A,SOLUBLE cytochrome B562 fusion | protein | 377 | 78% helix, 1% strand | P28223, P0ABE7 |
| B | 5-hydroxytryptamine receptor 2A,SOLUBLE cytochrome B562 fusion | protein | 358 | 83% helix, 1% strand | P28223, P0ABE7 |
| C | 5-hydroxytryptamine receptor 2A,SOLUBLE cytochrome B562 fusion | protein | 376 | 79% helix, 1% strand | P28223, P0ABE7 |
Ligands and binding sites
- 7LD · (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide · ligand · 3 copies · chains A, B, C
- OLA · Oleic acid · ligand · 3 copies · chains A, B
- CLR · Cholesterol · ligand · 2 copies · chains A
- PO4 · Phosphate ion · ion · 3 copies · chains B, C
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, C
- 1PE · Pentaethylene glycol · additive · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 405 | 0.81 | 0.89 | 42 | 7LD, 1PE |
| 2 | 434 | 0.80 | 0.88 | 50 | 7LD, PEG |
| 3 | 359 | 0.78 | 0.88 | 39 | 7LD, PO4 |
| 4 | 399 | 0.69 | 0.81 | 53 | PEG |
| 5 | 539 | 0.68 | 0.78 | 88 | empty |
Interfaces
2 interfaces between chains.
- B–C · 357 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 235 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 6WGT · Crystal structure of HTR2A with hallucinogenic agonist · 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 B against A, TM-score 0.84
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.28
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
- Every structure of UniProt P0ABE7
- Elsewhere: RCSB PDB 6WGT · PDBe 6WGT · UniProt P28223 · UniProt P0ABE7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.