8GNG
Crystal structure of human adenosine A2A receptor in complex 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, X | Adenosine receptor A2a | polymer | 333 | 37334.0 | 2 | UniProt (P29274) Pfam (PF00001) In PDB | Homo sapiens (human) | |
2 | L, Y | antibody fab fragment light chain | polymer | 214 | 23527.9 | 2 | Mus musculus | ||
3 | H, Z | antibody fab fragment heavy chain | polymer | 226 | 24294.9 | 2 | Mus musculus | ||
4 | A, X | 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione | non-polymer | 384.4 | 2 | Chemie (JQ9) | |||
5 | A, X | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 10 | Chemie (OLC) | |||
6 | A, X | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
7 | L, Y | POTASSIUM ION | non-polymer | 39.1 | 2 | Chemie (K) | |||
8 | water | water | 18.0 | 3 | Chemie (HOH) |
Sequence modifications
A, X: 1 - 316 (UniProt: P29274)
PDB | External Database | Details |
---|---|---|
Asp -6 | - | expression tag |
Tyr -5 | - | expression tag |
Asp -4 | - | expression tag |
Asp -3 | - | expression tag |
Asp -2 | - | expression tag |
Asp -1 | - | expression tag |
Lys 0 | - | expression tag |
Leu 54 | Ala 54 | engineered mutation |
Ala 88 | Thr 88 | engineered mutation |
Ala 122 | Lys 122 | engineered mutation |
Gln 154 | Asn 154 | engineered mutation |
Ala 239 | Val 239 | engineered mutation |
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 | 6 |
Total formula weight | 170313.6 | |
Non-Polymers* | Number of molecules | 16 |
Total formula weight | 4483.4 | |
All* | Total formula weight | 174796.9 |