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MolNFT v1 · #50396 · protein

High resolution crystal structure of human B2-adrenergic G protein- coupled receptor.

2RH1 · Beta-2-adrenergic RECEPTOR/T4-lysozyme chimera: “High resolution crystal structure of human B2-adrenergic G protein- coupled receptor.”. X-ray diffraction, 6 ligands (CLR, CAU, ACM), 3 pockets (best druggability 0.79). MolNFT v1…

PDB
2RH1
Type
protein
Length
442 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-2-adrenergic RECEPTOR/T4-lysozyme chimera
UniProt
P07550, P00720
Ligands
CLR, CAU, ACM, PLM, GLC, SO4
Pockets
3 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 75% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-2-adrenergic RECEPTOR/T4-lysozyme chimeraprotein44275% helix, 3% strandP07550, P00720

Ligands and binding sites

  • CLR · Cholesterol · ligand · 3 copies · chains A
  • CAU · (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol · ligand · chains A
  • ACM · Acetamide · ligand · chains A
  • PLM · Palmitic acid · ligand · chains A
  • GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
  • SO4 · Sulfate ion · ion · 6 copies · chains A
  • BU1 · 1,4-butanediol · additive · 2 copies · chains A
  • 12P · Dodecaethylene glycol · additive · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16020.790.8557CAU
23330.610.7836SO4
31270.370.7319GLC

Modifications

Observed in the structure: 2 disulfide, 1 covalent, 1 lipid (disulfide, covalent ligand, palmitoylation).

Compared structures

  • 2RH1 · High resolution crystal structure of human B2-adrenergic G protein-coupled receptor. · the same entry in another collection · chain A against A, TM-score 1.00
  • P07550 · AlphaFold monomer V2.0 prediction for beta-2 adrenergic receptor (P07550) · a predicted model of the same protein · chain A against A, TM-score 0.66

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