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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
6DRZ
Type
protein
Length
388 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5HT2B receptor, bril chimera
UniProt
P41595, P0ABE7
Ligands
CLR, OLA, H8J, PO4
Pockets
2 · best druggability 0.77

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A5HT2B receptor, bril chimeraprotein38880% helix, 0% strandP41595, P0ABE7

Ligands and binding sites

  • CLR · Cholesterol · ligand · chains A
  • OLA · Oleic acid · ligand · chains A
  • H8J · (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9, 10-didehydroergoline-8-carboxamide · ligand · chains A
  • PO4 · Phosphate ion · ion · chains A
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · 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

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14750.770.8544H8J
26410.690.7766OLC, PEG

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6DRZ · 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 0.79
  • 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

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