5UEN
Crystal structure of the human adenosine A1 receptor A1AR-bRIL in complex with the covalent antagonist DU172 at 3.2A resolution
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Adenosine receptor A1,Soluble cytochrome b562,Adenosine receptor A1 | polymer | 416 | 46560.0 | 2 | UniProt (P30542) UniProt (P0ABE7) Pfam (PF00001) Pfam (PF07361) | Homo sapiens (Human) | Cytochrome b-562 |
| 2 | C, H (A, B) | 4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride | non-polymer | 519.6 | 2 | Chemie (DU1) | |||
| 3 | D, E, F, G, I... (A, B) | OLEIC ACID | non-polymer | 282.5 | 7 | Chemie (OLA) |
Sequence modifications
A, B: 2 - 211 (UniProt: P30542)
A, B: 1001 - 1105 (UniProt: P0ABE7)
A, B: 228 - 311 (UniProt: P30542)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Pro 1 | - | expression tag |
| Ala 159 | Asn 159 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Trp 1007 | Met 29 | conflict |
| Ile 1102 | His 124 | conflict |
| Leu 1106 | - | linker |
| Glu 220 | - | linker |
| Arg 221 | - | linker |
| Ala 222 | - | linker |
| Arg 223 | - | linker |
| Ser 224 | - | linker |
| Thr 225 | - | linker |
| Leu 226 | - | linker |
| Gln 227 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Leu 312 | - | expression tag |
| Glu 313 | - | expression tag |
| Val 314 | - | expression tag |
| Leu 315 | - | expression tag |
| Phe 316 | - | expression tag |
| Gln 317 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 93120.1 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 3016.4 | |
| All* | Total formula weight | 96136.5 |
