9LLJ
Cryo-EM structure of D1R-Gs in complex with de novo designed GEM targetingTM1/2/4 and GEM targeting TM3/4/5, and agonist-positive allosteric GEM targeting TM5/6/7
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (R) | D(1A) dopamine receptor,LgBiT | polymer | 622 | 67994.0 | 1 | UniProt (P21728) | Homo sapiens (human) | Dopamine D1 receptor |
| 2 | B (B) | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | polymer | 384 | 41729.6 | 1 | UniProt (P62873) | Homo sapiens (human) | Transducin beta chain 1 |
| 3 | C (C) | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | polymer | 71 | 7861.1 | 1 | UniProt (P59768) | Homo sapiens (human) | G gamma-I |
| 4 | D (N) | Nanoboy 35 | polymer | 138 | 15140.7 | 1 | Lama glama | ||
| 5 | E (A) | Isoform Gnas-2 of Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | polymer | 380 | 44284.1 | 1 | UniProt (P63092) | Homo sapiens (human) | Adenylate cyclase-stimulating G alpha protein |
| 6 | F (O) | De novo designed GPCR exoframe modulator targeting TM1/2/4 | polymer | 203 | 23206.1 | 1 | synthetic construct | ||
| 7 | G (P) | De novo designed GPCR exoframe modulator targeting TM3/4/5 | polymer | 77 | 8862.2 | 1 | Homo sapiens | ||
| 8 | H (Q) | De novo designed agonist-positive allosteric GPCR exoframe modulator targeting TM5/6/7 | polymer | 82 | 9615.0 | 1 | Homo sapiens | ||
| 9 | I (R) | L-DOPAMINE | non-polymer | 153.2 | 1 | Chemie (LDP) | |||
| 10 | J, K (R) | PALMITIC ACID | non-polymer | 256.4 | 2 | Chemie (PLM) |
Sequence modifications
R: 2 - 446 (UniProt: P21728)
R: 447 - 623 (PDB: 9LLJ)
B: 2 - 340 (UniProt: P62873)
A: 1 - 394 (UniProt: P63092)
| PDB | External Database | Details |
|---|---|---|
| Asn 163 | Trp 163 | conflict |
B: 2 - 340 (UniProt: P62873)
| PDB | External Database | Details |
|---|---|---|
| Met -17 | - | initiating methionine |
| His -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| Leu -10 | - | expression tag |
| Glu -9 | - | expression tag |
| Val -8 | - | expression tag |
| Leu -7 | - | expression tag |
| Phe -6 | - | expression tag |
| Gln -5 | - | expression tag |
| Gly -4 | - | expression tag |
| Pro -3 | - | expression tag |
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Gly 1 | - | expression tag |
| Gly 341 | - | expression tag |
| Ser 342 | - | expression tag |
| Ser 343 | - | expression tag |
| Gly 344 | - | expression tag |
| Gly 345 | - | expression tag |
| Gly 346 | - | expression tag |
| Gly 347 | - | expression tag |
| Ser 348 | - | expression tag |
| Gly 349 | - | expression tag |
| Gly 350 | - | expression tag |
| Gly 351 | - | expression tag |
| Gly 352 | - | expression tag |
| Ser 353 | - | expression tag |
| Ser 354 | - | expression tag |
| Gly 355 | - | expression tag |
| Val 356 | - | expression tag |
| Ser 357 | - | expression tag |
| Gly 358 | - | expression tag |
| Trp 359 | - | expression tag |
| Arg 360 | - | expression tag |
| Leu 361 | - | expression tag |
| Phe 362 | - | expression tag |
| Lys 363 | - | expression tag |
| Lys 364 | - | expression tag |
| Ile 365 | - | expression tag |
| Ser 366 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Asn 54 | Ser 54 | conflict |
| Ala 226 | Gly 212 | conflict |
| Ala 268 | Glu 254 | conflict |
| Lys 271 | Asn 257 | conflict |
| Asp 274 | Lys 260 | conflict |
| Lys 280 | Arg 266 | conflict |
| Asp 284 | Thr 270 | conflict |
| Thr 285 | Ile 271 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 218692.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 666.0 | |
| All* | Total formula weight | 219358.9 |
