9GE2
Structure of GPR55 in complex with G13 and synthetic agonist ML184
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Guanine nucleotide-binding protein G(i) subunit alpha-2,Guanine nucleotide-binding protein subunit alpha-13 | polymer | 230 | 26574.4 | 1 | UniProt (P04899) UniProt (Q14344) Pfam (PF00503) | Homo sapiens (human) | Adenylate cyclase-inhibiting G alpha protein,G alpha-13,G-protein subunit alpha-13 |
| 2 | B (B) | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | polymer | 358 | 39418.1 | 1 | UniProt (P62873) Pfam (PF25391) | Homo sapiens (human) | Transducin beta chain 1 |
| 3 | C (F) | Single-chain variable fragment ScFv16 | polymer | 253 | 27068.2 | 1 | Mus musculus (mouse) | ||
| 4 | D (G) | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | polymer | 80 | 8506.8 | 1 | UniProt (P59768) Pfam (PF00631) | Homo sapiens (human) | G gamma-I |
| 5 | E (R) | Green fluorescent protein,G-protein coupled receptor 55,G-protein coupled receptor 55 | polymer | 650 | 73124.8 | 1 | UniProt (Q9Y2T6) Pfam (PF00001) | Aequorea victoria (Water jellyfish) | |
| 6 | F (X) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 7 | G (R) | 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N,N-dimethyl-4-pyrrolidin-1-yl-benzenesulfonamide | non-polymer | 470.6 | 1 | Chemie (A1IKH) PubChem (2440433) | |||
| 8 | H (R) | 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) | |||
| 9 | I, J, K (A, B, R) | water | water | 18.0 | 14 | Chemie (HOH) |
Sequence modifications
A: 1 - 15 (UniProt: P04899)
A: 16 - 58 (UniProt: Q14344)
A: 66 - 230 (UniProt: Q14344)
B: 20 - 358 (UniProt: P62873)
G: 1 - 71 (UniProt: P59768)
R: -280 - 0 (PDB: 9GE2)
R: 1 - 319 (UniProt: Q9Y2T6)
| PDB | External Database | Details |
|---|---|---|
| Ser 3 | Cys 3 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Asp 42 | Gly 57 | engineered mutation |
| Asn 43 | Glu 58 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Gly 59 | - | linker |
| Ser 60 | - | linker |
| Gly 61 | - | linker |
| Gly 62 | - | linker |
| Ser 63 | - | linker |
| Gly 64 | - | linker |
| Gly 65 | - | linker |
| Asp 111 | Ser 248 | engineered mutation |
| Asp 114 | Glu 251 | engineered mutation |
| - | Asp 253 | deletion |
| - | Gln 254 | deletion |
| - | Val 255 | deletion |
| - | Leu 256 | deletion |
| - | Met 257 | deletion |
| - | Glu 258 | deletion |
| - | Asp 259 | deletion |
| - | Arg 260 | deletion |
| - | Leu 261 | deletion |
| - | Thr 262 | deletion |
| Asp 124 | Ile 271 | engineered mutation |
| Ala 208 | Ile 355 | engineered mutation |
| Ile 211 | Val 358 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | initiating methionine |
| His 2 | - | expression tag |
| His 3 | - | expression tag |
| His 4 | - | expression tag |
| His 5 | - | expression tag |
| His 6 | - | expression tag |
| His 7 | - | expression tag |
| Leu 8 | - | expression tag |
| Glu 9 | - | expression tag |
| Val 10 | - | expression tag |
| Leu 11 | - | expression tag |
| Phe 12 | - | expression tag |
| Gln 13 | - | expression tag |
| Gly 14 | - | expression tag |
| Pro 15 | - | expression tag |
| Gly 16 | - | expression tag |
| Ser 17 | - | expression tag |
| Ser 18 | - | expression tag |
| Gly 19 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 72 | - | expression tag |
| Ser 73 | - | expression tag |
| Ala 74 | - | expression tag |
| Gly 75 | - | expression tag |
| Ser 76 | - | expression tag |
| Ala 77 | - | expression tag |
| Gly 78 | - | expression tag |
| Ser 79 | - | expression tag |
| Ala 80 | - | expression tag |
R: 1 - 319 (UniProt: Q9Y2T6)
| PDB | External Database | Details |
|---|---|---|
| Ala 320 | - | expression tag |
| Gly 321 | - | expression tag |
| Ser 322 | - | expression tag |
| Gly 323 | - | expression tag |
| Ala 324 | - | expression tag |
| Gly 325 | - | expression tag |
| Ser 326 | - | expression tag |
| Ala 327 | - | expression tag |
| Trp 328 | - | expression tag |
| Ser 329 | - | expression tag |
| His 330 | - | expression tag |
| Pro 331 | - | expression tag |
| Gln 332 | - | expression tag |
| Phe 333 | - | expression tag |
| Glu 334 | - | expression tag |
| Lys 335 | - | expression tag |
| Gly 336 | - | expression tag |
| Gly 337 | - | expression tag |
| Gly 338 | - | expression tag |
| Ser 339 | - | expression tag |
| Gly 340 | - | expression tag |
| Gly 341 | - | expression tag |
| Gly 342 | - | expression tag |
| Ser 343 | - | expression tag |
| Gly 344 | - | expression tag |
| Gly 345 | - | expression tag |
| Ser 346 | - | expression tag |
| Ala 347 | - | expression tag |
| Trp 348 | - | expression tag |
| Ser 349 | - | expression tag |
| His 350 | - | expression tag |
| Pro 351 | - | expression tag |
| Gln 352 | - | expression tag |
| Phe 353 | - | expression tag |
| Glu 354 | - | expression tag |
| Lys 355 | - | expression tag |
| Gly 356 | - | expression tag |
| Ala 357 | - | expression tag |
| Gly 358 | - | expression tag |
| Ser 359 | - | expression tag |
| His 360 | - | expression tag |
| His 361 | - | expression tag |
| His 362 | - | expression tag |
| His 363 | - | expression tag |
| His 364 | - | expression tag |
| His 365 | - | expression tag |
| His 366 | - | expression tag |
| His 367 | - | expression tag |
| His 368 | - | expression tag |
| His 369 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 5 |
| Total formula weight | 174692.3 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 857.3 | |
| All* | Total formula weight | 175974.0 |






