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) | 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) PubChem (5478) PubChem (33624) PubChem (168613) | |||
| 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) PubChem (16219173) PubChem (16758052) PubChem (304) PubChem (176980071) PubChem (191463) PubChem (368063) PubChem (369319) PubChem (18640088) PubChem (1715243) PubChem (40477506) PubChem (40557614) PubChem (42579431) PubChem (42579432) PubChem (1715244) PubChem (23423981) PubChem (45044259) PubChem (638019) PubChem (49853509) PubChem (50990013) PubChem (44654663) PubChem (52934537) PubChem (56621683) PubChem (1549081) PubChem (1553803) PubChem (46937002) PubChem (57915018) PubChem (57939063) PubChem (58428240) PubChem (58445498) PubChem (58663286) PubChem (59450329) PubChem (59628412) PubChem (59965215) PubChem (71234641) PubChem (59993755) PubChem (60001463) PubChem (66634651) PubChem (59274407) PubChem (5283629) PubChem (5284644) PubChem (68055877) PubChem (68166463) PubChem (68315613) PubChem (5315842) PubChem (70795838) PubChem (70797612) PubChem (70954610) PubChem (70957185) PubChem (71463909) PubChem (68311425) PubChem (68311398) PubChem (143173313) PubChem (177156123) PubChem (6419195) PubChem (5997) PubChem (6994560) PubChem (7055705) PubChem (7055706) PubChem (7059398) PubChem (7059400) PubChem (7059635) PubChem (7103033) PubChem (7182477) PubChem (7182478) PubChem (89951918) PubChem (90224410) PubChem (91298236) PubChem (9909206) PubChem (10045721) PubChem (71168115) PubChem (10134774) PubChem (10293553) PubChem (71173031) PubChem (11003580) PubChem (11025495) PubChem (11058155) PubChem (11463329) PubChem (1551269) PubChem (90070115) PubChem (11868624) PubChem (11868625) PubChem (11869366) PubChem (11869367) PubChem (11869368) PubChem (11869369) PubChem (12120344) PubChem (12156156) PubChem (12303135) PubChem (12303148) PubChem (12303156) PubChem (12303159) PubChem (12303160) PubChem (117965027) PubChem (6432564) PubChem (101624109) PubChem (6710666) PubChem (124146240) PubChem (7059399) PubChem (124897607) PubChem (124896959) PubChem (10861996) PubChem (132837164) PubChem (11834483) PubChem (11888915) PubChem (11888914) PubChem (124225449) PubChem (124429284) PubChem (124909223) PubChem (124909224) PubChem (124909225) PubChem (138967089) PubChem (139566851) PubChem (130459183) PubChem (131992107) PubChem (15939944) PubChem (139568882) PubChem (142983773) PubChem (144054483) PubChem (144209461) PubChem (144331236) PubChem (144808354) PubChem (145053568) PubChem (145157652) PubChem (145215073) PubChem (145230478) PubChem (146320991) PubChem (147857230) PubChem (154993519) PubChem (171828367) PubChem (173516975) PubChem (158603858) PubChem (162906452) PubChem (162906453) PubChem (162906454) PubChem (162906455) PubChem (162906456) PubChem (162906457) PubChem (163255768) PubChem (163389210) PubChem (164665303) PubChem (166553771) PubChem (166712004) PubChem (170116175) PubChem (171764280) PubChem (171817101) PubChem (171817104) PubChem (174285573) | |||
| 5 | H, I, J, K, L... (A) | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 7 | Chemie (OLC) PubChem (25021708) PubChem (46840179) PubChem (54294271) PubChem (54294270) PubChem (5283468) PubChem (5364833) PubChem (33022) PubChem (11451146) PubChem (12178130) | |||
| 6 | O, P, Q, R (A) | OLEIC ACID | non-polymer | 282.5 | 4 | Chemie (OLA) PubChem (965) PubChem (445639) PubChem (637517) | |||
| 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 |
