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Structural determinants of activation and biased agonism at the 5-HT2B receptor

Analyse Structural determinants of activation and biased agonism at the 5-HT2B receptor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6DRX
Type
protein
Length
368 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5HT2B receptor, bril chimera
UniProt
P41595, P0ABE7
Ligands
H8G, CLR
Pockets
4 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A5HT2B receptor, bril chimeraprotein36880% helix, 0% strandP41595, P0ABE7

Ligands and binding sites

  • H8G · N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea · ligand · chains A
  • CLR · Cholesterol · ligand · chains A
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14410.780.8645H8G
24510.640.7761OLC
32840.640.8145empty
4560.290.749empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6DRX · Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor · the same entry in another collection · chain A against A, TM-score 1.00
  • P41595 · AlphaFold monomer V2.0 prediction for 5-hydroxytryptamine receptor 2B (P41595) · a predicted model of the same protein · chain A against A, TM-score 0.82
  • P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.23

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