9FUP
Serial microseconds crystallography at ID29 using fixed-target (small foils): A2a adenosine receptor co-crystallised with Istradefylline
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 | polymer | 423 | 46615.3 | 1 | UniProt (P29274) UniProt (P0ABE7) Pfam (PF00001) | Homo sapiens (human) | Cytochrome b-562 |
| 2 | B (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 3 | C, D, E (A) | CHOLESTEROL | non-polymer | 386.7 | 3 | Chemie (CLR) | |||
| 4 | F, G, H, I, J... (A) | OLEIC ACID | non-polymer | 282.5 | 11 | Chemie (OLA) | |||
| 5 | Q, R (A) | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 2 | Chemie (OLB) | |||
| 6 | S, T (A) | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 2 | Chemie (OLC) | |||
| 7 | U (A) | 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione | non-polymer | 384.4 | 1 | Chemie (JQ9) | |||
| 8 | V (A) | water | water | 18.0 | 42 | Chemie (HOH) |
Sequence modifications
A: 2 - 208 (UniProt: P29274)
A: 1001 - 1105 (UniProt: P0ABE7)
A: 219 - 317 (UniProt: P29274)
| PDB | External Database | Details |
|---|---|---|
| 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 |
| Leu 54 | Ala 54 | conflict |
| Ala 88 | Thr 88 | conflict |
| Ala 107 | Arg 107 | conflict |
| Ala 122 | Lys 122 | conflict |
| Ala 154 | Asn 154 | conflict |
| Ala 202 | Leu 202 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Trp 1007 | Met 29 | conflict |
| Ile 1102 | His 124 | conflict |
| Leu 1106 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Ala 235 | Leu 235 | conflict |
| Ala 239 | Val 239 | conflict |
| Ala 277 | Ser 277 | conflict |
| Ala 318 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 46615.3 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 6100.6 | |
| All* | Total formula weight | 52715.9 |
