5UIG
Crystal structure of adenosine A2A receptor bound to a novel triazole-carboximidamide antagonist
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,Adenosine receptor A2a | polymer | 444 | 49540.9 | 1 | UniProt (P29274) UniProt (P0ABE7) Pfam (PF00001) | Homo sapiens (Human) | Cytochrome b-562 |
| 2 | B (A) | {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID | non-polymer | 292.2 | 1 | Chemie (EDT) | |||
| 3 | C (A) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
| 4 | D (A) | 5-amino-N-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-1,2,3-triazole-4-carboximidamide | non-polymer | 336.4 | 1 | Chemie (8D1) |
Sequence modifications
A: 1 - 208 (UniProt: P29274)
A: 1001 - 1106 (UniProt: P0ABE7)
A: 193 - 316 (UniProt: P29274)
| PDB | External Database | Details |
|---|---|---|
| Met -25 | - | initiating methionine |
| Lys -24 | - | expression tag |
| Thr -23 | - | expression tag |
| Ile -22 | - | expression tag |
| Ile -21 | - | expression tag |
| Ala -20 | - | expression tag |
| Leu -19 | - | expression tag |
| Ser -18 | - | expression tag |
| Tyr -17 | - | expression tag |
| Ile -16 | - | expression tag |
| Phe -15 | - | expression tag |
| Cys -14 | - | expression tag |
| Leu -13 | - | expression tag |
| Val -12 | - | expression tag |
| Phe -11 | - | expression tag |
| Ala -10 | - | expression tag |
| Asp -9 | - | expression tag |
| Tyr -8 | - | expression tag |
| Lys -7 | - | expression tag |
| Asp -6 | - | expression tag |
| Asp -5 | - | expression tag |
| Asp -4 | - | expression tag |
| Asp -3 | - | expression tag |
| Ala -2 | - | expression tag |
| Ala -1 | - | expression tag |
| Ala 0 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Trp 1007 | Met 29 | engineered mutation |
| Ile 1102 | His 124 | engineered mutation |
| Leu 1106 | Arg 128 | engineered mutation |
| 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 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 49540.9 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 823.9 | |
| All* | Total formula weight | 50364.8 |
