GL1X · GenesisL1 explorer

MolNFT v1 · #160702 · protein

Xfel BETA2 ar structure by ligand exchange from alprenolol to timolol.

6PS1: “Xfel BETA2 ar structure by ligand exchange from alprenolol to timolol.”. X-ray diffraction, 4 ligands (TIM, CLR, OLA). MolNFT v1 #160702 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6PS1
Type
protein
Length
442 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P07550, D9IEF7
Ligands
TIM, CLR, OLA, SO4

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein442—P07550, D9IEF7

Ligands and binding sites

  • TIM · (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol · ligand · chains A
  • CLR · Cholesterol · ligand · chains A
  • OLA · Oleic acid · ligand · chains A
  • SO4 · Sulfate ion · ion · 3 copies · chains A
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 6PS1 · XFEL beta2 AR structure by ligand exchange from Alprenolol to Timolol. · 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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