5IUB
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12x at 2.1A resolution
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a | polymer | 433 | 47996.7 | 1 | UniProt (P29274) UniProt (P0ABE7) Pfam (PF00001) Pfam (PF07361) In PDB | Homo sapiens (Human) | Cytochrome b-562 |
2 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
3 | A | 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 | non-polymer | 441.4 | 1 | Chemie (6DV) | |||
4 | A | CHOLESTEROL | non-polymer | 386.7 | 3 | Chemie (CLR) | |||
5 | A | OLEIC ACID | non-polymer | 282.5 | 16 | Chemie (OLA) | |||
6 | A | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 7 | Chemie (OLB) | |||
7 | A | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 2 | Chemie (OLC) | |||
8 | water | water | 18.0 | 103 | Chemie (HOH) |
Sequence modifications
A: 2 - 208 (UniProt: P29274)
A: 1001 - 1106 (UniProt: P0ABE7)
A: 219 - 315 (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 | engineered mutation |
Ala 88 | Thr 88 | engineered mutation |
Ala 107 | Arg 107 | engineered mutation |
Ala 122 | Lys 122 | engineered mutation |
Ala 154 | Asn 154 | engineered mutation |
Ala 202 | Leu 202 | engineered mutation |
PDB | External Database | Details |
---|---|---|
Trp 1007 | Met 29 | engineered mutation |
PDB | External Database | Details |
---|---|---|
Ala 235 | Leu 235 | engineered mutation |
Ala 239 | Val 239 | engineered mutation |
Ala 277 | Ser 277 | engineered mutation |
Ala 316 | - | expression tag |
Ala 317 | - | expression tag |
Ala 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 |
His 327 | - | expression tag |
His 328 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 47996.7 | |
Non-Polymers* | Number of molecules | 30 |
Total formula weight | 9352.6 | |
All* | Total formula weight | 57349.4 |