6PS7
XFEL A2aR structure by ligand exchange from LUF5843 to ZM241385.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a | polymer | 442 | 49386.5 | 1 | UniProt (P29274) UniProt (P0ABE7) Pfam (PF00001) Pfam (PF07361) | Homo sapiens (Human) | Cytochrome b-562 |
| 2 | B (A) | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol | non-polymer | 337.3 | 1 | Chemie (ZMA) | |||
| 3 | C, D, E, F, G... (A) | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 9 | Chemie (OLC) | |||
| 4 | L, M, N (A) | CHOLESTEROL | non-polymer | 386.7 | 3 | Chemie (CLR) | |||
| 5 | O (A) | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 1 | Chemie (OLB) | |||
| 6 | AA, BA, P, Q, R... (A) | OLEIC ACID | non-polymer | 282.5 | 13 | Chemie (OLA) | |||
| 7 | CA (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 8 | DA (A) | water | water | 18.0 | 105 | Chemie (HOH) |
Sequence modifications
A: 2 - 208 (UniProt: P29274)
A: 1001 - 1106 (UniProt: P0ABE7)
A: 219 - 316 (UniProt: P29274)
| PDB | External Database | Details |
|---|---|---|
| Ala -19 | - | expression tag |
| Leu -18 | - | expression tag |
| Ser -17 | - | expression tag |
| Tyr -16 | - | expression tag |
| Ile -15 | - | expression tag |
| Phe -14 | - | expression tag |
| Cys -13 | - | expression tag |
| Leu -12 | - | expression tag |
| Val -11 | - | expression tag |
| Phe -10 | - | expression tag |
| Ala -9 | - | expression tag |
| Asp -8 | - | expression tag |
| Tyr -7 | - | expression tag |
| Lys -6 | - | expression tag |
| Asp -5 | - | expression tag |
| Asp -4 | - | expression tag |
| Asp -3 | - | expression tag |
| Asp -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ala 0 | - | expression tag |
| Pro 1 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Trp 1007 | Met 29 | engineered mutation |
| Ile 1102 | His 124 | engineered mutation |
| Leu 1106 | Arg 128 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| His 317 | - | expression tag |
| His 318 | - | expression tag |
| His 319 | - | expression tag |
| His 320 | - | expression tag |
| His 321 | - | expression tag |
| His 322 | - | expression tag |
| His 323 | - | expression tag |
| His 324 | - | expression tag |
| His 325 | - | expression tag |
| His 326 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 49386.5 | |
| Non-Polymers* | Number of molecules | 28 |
| Total formula weight | 8757.7 | |
| All* | Total formula weight | 58144.2 |
