8C9W: Crystal structure of the adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with Etrumadenant at the orthosteric pocket

PDB ID: 8C9WDownload
MMDB ID: 232752
PDB Deposition Date: 2023/1/23
Updated in MMDB: 2023/07
Experimental Method:
x-ray diffraction
Resolution: 2.114  Å
Source Organism:
Similar Structures:
Biological Unit for 8C9W: monomeric; determined by author and by software (PISA)
Molecular Components in 8C9W
Label Count Molecule
Protein (1 molecule)
1
Adenosine Receptor A2a,soluble Cytochrome B562
(Gene symbol: ADORA2A)
Molecule annotation
Chemicals and Non-standard biopolymers (13 molecules)
1
1
3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile
2
3
CHOLESTEROLCHOLESTEROL
3
5
OLEIC ACIDOLEIC ACID
4
2
(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
5
1
(2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate(2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
6
1
DI(HYDROXYETHYL)ETHERDI(HYDROXYETHYL)ETHER
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303