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MolNFT v1 · #127540 · protein

Crystal structure of stabilized A2A adenosine receptor A2AR-STAR2-bril in complex with caffeine at 2.1A resolution

5MZP: “Crystal structure of stabilized A2A adenosine receptor A2AR-STAR2-bril in complex with caffeine at 2.1A…”. X-ray diffraction, 4 ligands (OLA, CLR, CFF). MolNFT v1 #127540 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5MZP
Type
protein
Length
389 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P29274, P0ABE7
Ligands
OLA, CLR, CFF, NA

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein389—P29274, P0ABE7

Ligands and binding sites

  • OLA · Oleic acid · ligand · 18 copies · chains A
  • CLR · Cholesterol · ligand · 4 copies · chains A
  • CFF · Caffeine · ligand · chains A
  • NA · Sodium ion · metal · chains A
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 7 copies · chains A
  • TAR · D(-)-tartaric acid · additive · chains A

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

Compared structures

  • 5MZP · Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P29274 · AlphaFold monomer V2.0 prediction for adenosine receptor A2A (P29274) · a predicted model of the same protein · chain A against A, TM-score 0.78
  • P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.26

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