6PS6
XFEL beta2 AR structure by ligand exchange from Timolol to Timolol.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Fusion protein of Beta-2 adrenergic receptor and T4 Lysozyme | polymer | 506 | 57774.2 | 1 | UniProt (P07550) UniProt (D9IEF7) Pfam (PF00001) Pfam (PF00959) | Homo sapiens (Human) | Beta-2 adrenoreceptor,Beta-2 adrenoceptor,Lysis protein,Lysozyme,Muramidase |
| 2 | B (A) | (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol | non-polymer | 316.4 | 1 | Chemie (TIM) | |||
| 3 | C, D, E, F (A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 4 | G (A) | CHOLESTEROL | non-polymer | 386.7 | 1 | Chemie (CLR) | |||
| 5 | H, I, J, K, L... (A) | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 7 | Chemie (OLC) | |||
| 6 | O, P, Q, R (A) | OLEIC ACID | non-polymer | 282.5 | 4 | Chemie (OLA) | |||
| 7 | S (A) | water | water | 18.0 | 10 | Chemie (HOH) |
Sequence modifications
A: 1 - 230 (UniProt: P07550)
A: 1002 - 1161 (UniProt: D9IEF7)
A: 263 - 348 (UniProt: P07550)
| PDB | External Database | Details |
|---|---|---|
| Met -23 | - | initiating methionine |
| Lys -22 | - | expression tag |
| Thr -21 | - | expression tag |
| Ile -20 | - | expression tag |
| Ile -19 | - | expression tag |
| Ala -18 | - | expression tag |
| Leu -17 | - | expression tag |
| Ser -16 | - | expression tag |
| Tyr -15 | - | expression tag |
| Ile -14 | - | expression tag |
| Phe -13 | - | expression tag |
| Cys -12 | - | expression tag |
| Leu -11 | - | expression tag |
| Val -10 | - | expression tag |
| Phe -9 | - | expression tag |
| Ala -8 | - | expression tag |
| Asp -7 | - | expression tag |
| Tyr -6 | - | expression tag |
| Lys -5 | - | expression tag |
| Asp -4 | - | expression tag |
| Asp -3 | - | expression tag |
| Asp -2 | - | expression tag |
| Asp -1 | - | expression tag |
| Ala 0 | - | expression tag |
| Arg 16 | Gly 16 | variant |
| Gln 27 | Glu 27 | variant |
| Trp 122 | Glu 122 | engineered mutation |
| Glu 187 | Asn 187 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Thr 1054 | Cys 54 | engineered mutation |
| Ala 1097 | Cys 97 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| His 349 | - | expression tag |
| His 350 | - | expression tag |
| His 351 | - | expression tag |
| His 352 | - | expression tag |
| His 353 | - | expression tag |
| His 354 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 57774.2 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 4713.0 | |
| All* | Total formula weight | 62487.2 |
