8JII
Cryo-EM structure of compound 9n and niacin bound ketone body receptor HCAR2-Gi signaling complex
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (B) | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | polymer | 356 | 39141.8 | 1 | UniProt (P62873) Pfam (PF25391) | Homo sapiens (human) | Transducin beta chain 1 |
| 2 | B (C) | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | polymer | 71 | 7861.1 | 1 | UniProt (P59768) Pfam (PF00631) | Homo sapiens (human) | G gamma-I |
| 3 | C (D) | Guanine nucleotide-binding protein G(i) subunit alpha-1 | polymer | 354 | 40414.0 | 1 | UniProt (P63096) Pfam (PF00503) | Homo sapiens (human) | Adenylate cyclase-inhibiting G alpha protein |
| 4 | D (S) | scFv16 | polymer | 266 | 28636.8 | 1 | Mus musculus | ||
| 5 | E (A) | Hydroxycarboxylic acid receptor 2 | polymer | 397 | 46034.1 | 1 | UniProt (Q8TDS4) Pfam (PF00001) | Homo sapiens (human) | G-protein coupled receptor 109A,G-protein coupled receptor HM74A,Niacin receptor 1,Nicotinic acid receptor |
| 6 | F (A) | NICOTINIC ACID | non-polymer | 123.1 | 1 | Chemie (NIO) PubChem (938) | |||
| 7 | G (A) | CHOLESTEROL | non-polymer | 386.7 | 1 | Chemie (CLR) PubChem (16219173) PubChem (16758052) PubChem (304) PubChem (176980071) PubChem (40477506) PubChem (40557614) PubChem (42579431) PubChem (42579432) PubChem (18640088) PubChem (1715243) PubChem (1715244) PubChem (45044259) PubChem (23423981) PubChem (49853509) PubChem (50990013) PubChem (52934537) PubChem (56621683) PubChem (191463) PubChem (57915018) PubChem (57939063) PubChem (58428240) PubChem (58445498) PubChem (58663286) PubChem (368063) PubChem (369319) PubChem (44654663) PubChem (59450329) PubChem (59628412) PubChem (59965215) PubChem (71234641) PubChem (59993755) PubChem (60001463) PubChem (66634651) PubChem (68055877) PubChem (68166463) PubChem (68315613) PubChem (46937002) PubChem (70795838) PubChem (70797612) PubChem (70954610) PubChem (70957185) PubChem (71463909) PubChem (638019) PubChem (59274407) PubChem (1549081) PubChem (1553803) PubChem (68311425) PubChem (68311398) PubChem (143173313) PubChem (177156123) PubChem (89951918) PubChem (90224410) PubChem (5997) PubChem (5283629) PubChem (5284644) PubChem (1551269) PubChem (90070115) PubChem (91298236) PubChem (5315842) PubChem (117965027) PubChem (6432564) PubChem (6710666) PubChem (124146240) PubChem (7059399) PubChem (124897607) PubChem (124896959) PubChem (6419195) PubChem (10861996) PubChem (132837164) PubChem (101624109) PubChem (6994560) PubChem (7055705) PubChem (7055706) PubChem (7059398) PubChem (7059400) PubChem (7059635) PubChem (7103033) PubChem (7182477) PubChem (7182478) PubChem (11834483) PubChem (11888915) PubChem (11888914) PubChem (9909206) PubChem (10045721) PubChem (71168115) PubChem (10134774) PubChem (10293553) PubChem (71173031) PubChem (124225449) PubChem (138967089) PubChem (11003580) PubChem (11025495) PubChem (11058155) PubChem (139566851) PubChem (124429284) PubChem (11463329) 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 (15939944) PubChem (124909223) PubChem (124909224) PubChem (124909225) PubChem (171828367) PubChem (173516975) PubChem (130459183) PubChem (131992107) 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 (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) | |||
| 8 | H (A) | 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide | non-polymer | 428.5 | 1 | Chemie (IX8) PubChem (25101223) PubChem (44579762) PubChem (44579763) | |||
| 9 | I (A) | water | water | 18.0 | 1 | Chemie (HOH) |
Sequence modifications
B: 2 - 340 (UniProt: P62873)
D: 1 - 354 (UniProt: P63096)
A: 1 - 363 (UniProt: Q8TDS4)
| PDB | External Database | Details |
|---|---|---|
| Met -15 | - | initiating methionine |
| 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 |
| PDB | External Database | Details |
|---|---|---|
| Asn 47 | Ser 47 | engineered mutation |
| Ala 203 | Gly 203 | engineered mutation |
| Ala 245 | Glu 245 | engineered mutation |
| Ser 326 | Ala 326 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Met -33 | - | initiating methionine |
| Lys -32 | - | expression tag |
| Thr -31 | - | expression tag |
| Ile -30 | - | expression tag |
| Ile -29 | - | expression tag |
| Ala -28 | - | expression tag |
| Leu -27 | - | expression tag |
| Ser -26 | - | expression tag |
| Tyr -25 | - | expression tag |
| Ile -24 | - | expression tag |
| Phe -23 | - | expression tag |
| Cys -22 | - | expression tag |
| Leu -21 | - | expression tag |
| Val -20 | - | expression tag |
| Phe -19 | - | expression tag |
| Ala -18 | - | expression tag |
| Asp -17 | - | expression tag |
| Tyr -16 | - | expression tag |
| Lys -15 | - | expression tag |
| Asp -14 | - | expression tag |
| Asp -13 | - | expression tag |
| Asp -12 | - | expression tag |
| Asp -11 | - | expression tag |
| Ala -10 | - | expression tag |
| His -9 | - | expression tag |
| His -8 | - | expression tag |
| His -7 | - | expression tag |
| His -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| His -1 | - | expression tag |
| His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 5 |
| Total formula weight | 162087.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 938.3 | |
| All* | Total formula weight | 163026.1 |
