UniProt P29274
Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a (P29274)
Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a (UniProt P29274), EC 3.2.1.17: 106 experimental structures and 1 predicted model on GenesisL1, 40 ligands bound, 67 pockets. Binding sites, druggability and…
- UniProt
- P29274
- Protein
- Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a
- EC
- 3.2.1.17
- Experimental structures
- 106
- Predicted models
- 1
- Ligands
- 40
- Pockets
- 67 · 15 records with a druggable one
Structures
107 records of P29274 in the MolNFT archive: 106 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2YDO | Thermostabilised HUMAN A2a Receptor with adenosine bound | x-ray diffraction | A | — | — |
| 2YDO | Thermostabilised human A2A receptor with adenosine bound | x-ray diffraction | A | — | — |
| 2YDV | Thermostabilised HUMAN A2a Receptor with NECA bound | x-ray diffraction | A | — | — |
| 2YDV | Thermostabilised human A2A receptor with neca bound | x-ray diffraction | A | — | — |
| 3EML | The 2.6 A Crystal Structure of a Human A2A Adenosine Receptor bound to ZM241385. | x-ray diffraction | A | — | — |
| 3EML | The 2.6 a crystal structure of a human A2A adenosine receptor bound to ZM241385. | x-ray diffraction | A | — | — |
| 3PWH | Thermostabilised Adenosine A2A Receptor | x-ray diffraction | A | — | — |
| 3PWH | Thermostabilised adenosine A2A receptor | x-ray diffraction | A | — | — |
| 3QAK | Agonist bound structure of the human adenosine A2a receptor | x-ray diffraction | A | — | — |
| 3QAK | Agonist bound structure of the human adenosine A2A receptor | x-ray diffraction | A | — | — |
| 3REY | Thermostabilised adenosine A2A receptor in complex with XAC | x-ray diffraction | A | — | — |
| 3REY | Thermostabilised adenosine A2A receptor in complex with xac | x-ray diffraction | A | — | — |
| 3RFM | Thermostabilised adenosine A2A receptor in complex with caffeine | x-ray diffraction | A | — | — |
| 3RFM | Thermostabilised adenosine A2A receptor in complex with caffeine | x-ray diffraction | A | — | — |
| 3UZA | Thermostabilised Adenosine A2A receptor in complex with… | x-ray diffraction | A | — | — |
| 3UZA | Thermostabilised adenosine A2A receptor in complex with 6-(2,6… | x-ray diffraction | A | — | — |
| 3UZC | Thermostabilised Adenosine A2A receptor in complex with… | x-ray diffraction | A | — | — |
| 3UZC | Thermostabilised adenosine A2A receptor in complex with 4-(3-amino-5… | x-ray diffraction | A | — | — |
| 3VG9 | Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at… | x-ray diffraction | A | — | — |
| 3VG9 | Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at… | x-ray diffraction | A | — | — |
| 3VGA | Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at… | x-ray diffraction | A | — | — |
| 3VGA | Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at… | x-ray diffraction | A | — | — |
| 4EIY | Crystal structure of the chimeric protein of A2aAR-BRIL in complex with ZM241385 at 1.8A resolution | x-ray diffraction | A | — | — |
| 4EIY | Crystal structure of the chimeric protein of A2AAR-bril in complex with ZM241385 at 1.8A resolution | x-ray diffraction | A | — | — |
| 4UG2 | Thermostabilised HUMAN A2a Receptor with CGS21680 bound | x-ray diffraction | A, B | — | — |
| 4UG2 | Thermostabilised human A2A receptor with CGS21680 bound | x-ray diffraction | A, B | — | — |
| 4UHR | Thermostabilised HUMAN A2a Receptor with CGS21680 bound | x-ray diffraction | A | — | — |
| 4UHR | Thermostabilised human A2A receptor with CGS21680 bound | x-ray diffraction | A | — | — |
| 5G53 | Structure of the adenosine A2A receptor bound to an engineered G protein | x-ray diffraction | A, B | — | — |
| 5IU4 | Crystal structure of stabilized A2A adenosine receptor A2AR-STAR2-bril in complex with ZM241385 at… | x-ray diffraction | A | — | — |
| 5IU7 | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12c… | x-ray diffraction | A | NA, 6DY, CLR, OLA, OLB | 5 (best 0.74) |
| 5IU7 | Crystal structure of stabilized A2A adenosine receptor A2AR-STAR2-bril in complex with compound 12C… | x-ray diffraction | A | — | — |
| 5IU8 | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12f… | x-ray diffraction | A | NA, 6DZ, HTO, CLR, OLA, OLB | — |
| 5IU8 | Crystal structure of stabilized A2A adenosine receptor A2AR-STAR2-bril in complex with compound 12F… | x-ray diffraction | A | — | — |
| 5IUA | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12b… | x-ray diffraction | A | NA, 6DX, CLR, OLA, OLB | 4 (best 0.75) |
| 5IUA | Crystal structure of stabilized A2A adenosine receptor A2AR-STAR2-bril in complex with compound 12B… | x-ray diffraction | A | — | — |
| 5IUB | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12x… | x-ray diffraction | A | NA, 6DV, CLR, OLA, OLB | — |
| 5IUB | Crystal structure of stabilized A2A adenosine receptor A2AR-STAR2-bril in complex with compound 12X… | x-ray diffraction | A | — | — |
| 5JTB | Crystal structure of the chimeric protein of A2aAR-BRIL with bound iodide ions | x-ray diffraction | A | ZMA, CLR, IOD, OLA, OLB | — |
| 5JTB | Crystal structure of the chimeric protein of A2AAR-bril with bound iodide ions | x-ray diffraction | A | — | — |
| 5K2A | 2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing using XFEL data | x-ray diffraction | A | ZMA, NA, CLR, OLA | 6 (best 0.76) |
| 5K2A | 2.5 ångström A2A adenosine receptor structure with sulfur sad phasing using xfel data | x-ray diffraction | A | ZMA, NA, CLR, OLA | — |
| 5K2B | 2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data | x-ray diffraction | A | ZMA, NA, CLR, OLB, OLA | — |
| 5K2B | 2.5 ångström A2A adenosine receptor structure with mr phasing using xfel data | x-ray diffraction | A | ZMA, NA, CLR, OLB, OLA | — |
| 5K2C | 1.9 ångström A2A adenosine receptor structure with sulfur sad phasing and phase extension using… | x-ray diffraction | A | ZMA, NA, CLR, OLA | — |
| 5K2D | 1.9A angstrom A2a adenosine receptor structure with MR phasing using XFEL data | x-ray diffraction | A | ZMA, NA, CLR, OLB, OLA | — |
| 5K2D | 1.9A ångström A2A adenosine receptor structure with mr phasing using xfel data | x-ray diffraction | A | ZMA, NA, CLR, OLB, OLA | — |
| 5MZJ | Crystal structure of stabilized A2A adenosine receptor A2AR-STAR2-bril in complex with theophylline… | x-ray diffraction | A | NA, TEP, CLR, OLA | — |
| 5MZP | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with caffeine at… | x-ray diffraction | A | NA, CFF, CLR, OLA | 4 (best 0.73) |
| 5MZP | Crystal structure of stabilized A2A adenosine receptor A2AR-STAR2-bril in complex with caffeine at… | x-ray diffraction | A | NA, CFF, CLR, OLA | — |
| 5N2R | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with PSB36 at… | x-ray diffraction | A | NA, 8JN, CLR, OLA | — |
| 5N2R | Crystal structure of stabilized A2A adenosine receptor A2AR-STAR2-bril in complex with PSB36 at… | x-ray diffraction | A | NA, 8JN, CLR, OLA | — |
| 5NLX | A2A adenosine receptor room-temperature structure determined by serial millisecond crystallography | x-ray diffraction | A | OLA, NA, ZMA, CLR | — |
| 5NM2 | A2A Adenosine receptor cryo structure | x-ray diffraction | A | NA, ZMA, OLA, OLB, CLR | 4 (best 0.74) |
| 5NM2 | A2A adenosine receptor cryo structure | x-ray diffraction | A | NA, ZMA, OLA, OLB, CLR | — |
| 5NM4 | A2A adenosine receptor room-temperature structure determined by serial femtosecond crystallography | x-ray diffraction | A | OLA, NA, ZMA, CLR | — |
| 5OLG | Structure of the A2A-StaR2-bRIL562-ZM241385 complex at 1.86A obtained from in meso soaking… | x-ray diffraction | A | ZMA, CLR, OLA, SCN, NA | 5 (best 0.72) |
| 5OLG | Structure of the A2A-STAR2-BRIL562-ZM241385 complex at 1.86A obtained from in meso soaking… | x-ray diffraction | A | ZMA, CLR, OLA, SCN, NA | — |
| 5OLH | Structure of the A2A-StaR2-bRIL562-Vipadenant complex at 2.6A obtained from in meso soaking… | x-ray diffraction | A | 9XT, OLA, NA, CLR | — |
| 5OLH | Structure of the A2A-STAR2-BRIL562-vipadenant complex at 2.6A obtained from in meso soaking… | x-ray diffraction | A | 9XT, OLA, NA, CLR | — |
47 records more on the page itself.
Ligands
- CLR · Cholesterol · in 60 records
- OLA · Oleic acid · in 54 records
- NA · Sodium ion · in 48 records
- ZMA · 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-A][1,3, 5]triazin-5-yl)amino]ethyl}phenol · in 30 records
- OLB · (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · in 19 records
- 8K6 · Octadecane · in 5 records
- D10 · Decane · in 5 records
- D12 · Dodecane · in 5 records
- ER0 · [(2~{R},3~{S})-2,3,4-tris(oxidanyl)butyl] (5~{R},9~{R}, 13~{R})-5,9,13,17-tetramethyloctadecanoate · in 5 records
- MYS · Pentadecane · in 5 records
- TRD · Tridecane · in 5 records
- UKA · 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl) carbamoylamino]ethyl]purine-2-carboxamide · in 5 records
- T4E · 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol · in 4 records
- LJX · (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol · in 3 records
- TEP · Theophylline · in 3 records
- 8JN · 1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R}, 5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione · in 2 records
- 9XT · 3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine · in 2 records
- 9XW · ~{N}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide · in 2 records
- CFF · Caffeine · in 2 records
- NEC · N-ethyl-5'-carboxamido adenosine · in 2 records
- SCN · Thiocyanate ion · in 2 records
- TKO · (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine · in 2 records
- 6DV · N~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine · in 1 record
- 6DX · 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine · in 1 record
- 6DY · 2-(furan-2-yl)-N~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine · in 1 record
- 6DZ · 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine · in 1 record
- 8D1 · 5-amino-N-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-1,2,3-triazole-4-carboximidamide · in 1 record
- 8E2 · Preladenant conjugate psb-2113 · in 1 record
- 8IM · 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5, 6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2, 4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$L^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9, 11-tetraen-8-yl]pentyl]ethanamide · in 1 record
- 9Y2 · 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide · in 1 record
Experiment against prediction
- 3UZC chain A against the predicted model P29274: TM-score 0.98, RMSD 0.87 Å
- 3UZC chain A against the predicted model P29274: TM-score 0.98, RMSD 0.87 Å
- 3RFM chain A against the predicted model P29274: TM-score 0.98, RMSD 0.88 Å
- 3RFM chain A against the predicted model P29274: TM-score 0.98, RMSD 0.88 Å
- 3UZA chain A against the predicted model P29274: TM-score 0.98, RMSD 0.89 Å
- 3UZA chain A against the predicted model P29274: TM-score 0.98, RMSD 0.89 Å
- 3PWH chain A against the predicted model P29274: TM-score 0.98, RMSD 0.89 Å
- 3PWH chain A against the predicted model P29274: TM-score 0.98, RMSD 0.89 Å
- 3REY chain A against the predicted model P29274: TM-score 0.98, RMSD 0.92 Å
- 3REY chain A against the predicted model P29274: TM-score 0.98, RMSD 0.92 Å
Elsewhere
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