10KT
Crystal structure of A2A adenosine receptor A2AR-bRIL in complex with Compound50
This is a non-PDB format compatible entry.
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 | 431 | 48158.0 | 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) PubChem (923) | |||
| 3 | C (A) | (4%{S})-2-[(3%{R},6%{S})-1-(1-ethyl-1%{H}-pyrazol-4-yl)-6-methylpiperidin-3-yl]-7-methoxy[1,2,4]triazolo[1,5-%{c}]quinazolin-5-amine | non-polymer | 406.5 | 1 | Chemie (A1C5S) PubChem (176511077) | |||
| 4 | D, E, F (A) | CHOLESTEROL | non-polymer | 386.7 | 3 | Chemie (CLR) PubChem (5997) | |||
| 5 | AA, BA, CA, EA, FA... (A) | OLEIC ACID | non-polymer | 282.5 | 17 | Chemie (OLA) | |||
| 6 | DA, S, T, U, W... (A) | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 6 | Chemie (OLC) PubChem (11451146) | |||
| 7 | V (A) | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 1 | Chemie (OLB) PubChem (12178130) | |||
| 8 | Y, Z (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) PubChem (8117) | |||
| 9 | GA (A) | water | water | 18.0 | 97 | Chemie (HOH) |
Sequence modifications
A: 2 - 208 (UniProt: P29274)
A: 1001 - 1105 (UniProt: P0ABE7)
A: 219 - 316 (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 |
| PDB | External Database | Details |
|---|---|---|
| Trp 1007 | Met 29 | conflict |
| Ile 1102 | His 124 | conflict |
| Leu 1106 | - | linker |
| 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 | 48158.0 | |
| Non-Polymers* | Number of molecules | 31 |
| Total formula weight | 9099.3 | |
| All* | Total formula weight | 57257.3 |
