4NTJ
Structure of the human P2Y12 receptor in complex with an antithrombotic drug
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12 | polymer | 466 | 53248.9 | 1 | UniProt (Q9H244) UniProt (P0ABE7) Pfam (PF00001) | Homo sapiens (Human) | P2Y12,ADP-glucose receptor,ADPG-R,P2T(AC),P2Y(AC),P2Y(cyc),P2Y12 platelet ADP receptor,P2Y(ADP),SP1999 |
| 2 | B (A) | ethyl 6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyano-2-methylpyridine-3-carboxylate | non-polymer | 470.5 | 1 | Chemie (AZJ) PubChem (23649325) | |||
| 3 | C, D (A) | CHOLESTEROL | non-polymer | 386.7 | 2 | Chemie (CLR) PubChem (91298236) PubChem (117965027) PubChem (5997) PubChem (124225449) PubChem (139566851) PubChem (142983773) PubChem (143173313) PubChem (144209461) PubChem (145053568) PubChem (145230478) PubChem (304) PubChem (158603858) PubChem (162906456) PubChem (162906457) PubChem (638019) PubChem (191463) PubChem (368063) PubChem (369319) PubChem (1549081) PubChem (1551269) PubChem (1553803) PubChem (90070115) PubChem (1715243) PubChem (1715244) PubChem (5284644) PubChem (5315842) PubChem (124146240) PubChem (124429284) PubChem (124896959) PubChem (124897607) PubChem (6419195) PubChem (6432564) PubChem (6710666) PubChem (6994560) PubChem (7055705) PubChem (7055706) PubChem (7059398) PubChem (7059399) PubChem (7059635) PubChem (7103033) PubChem (7182477) PubChem (7182478) PubChem (124909223) PubChem (124909224) PubChem (124909225) PubChem (130459183) PubChem (131992107) PubChem (132837164) PubChem (10045721) PubChem (10134774) PubChem (10293553) PubChem (10861996) PubChem (11003580) PubChem (11025495) PubChem (11058155) PubChem (11463329) PubChem (11834483) PubChem (11868624) PubChem (11869366) PubChem (11869367) PubChem (11869368) PubChem (11869369) PubChem (11888914) PubChem (11888915) PubChem (12120344) PubChem (12156156) PubChem (12303135) PubChem (12303156) PubChem (12303159) PubChem (12303160) PubChem (138967089) PubChem (16758052) PubChem (18640088) PubChem (139568882) PubChem (144054483) PubChem (144331236) PubChem (144808354) PubChem (145157652) PubChem (145215073) PubChem (146320991) PubChem (23423981) PubChem (147857230) PubChem (154993519) PubChem (40557614) PubChem (42579431) PubChem (44654663) PubChem (45044259) PubChem (46937002) PubChem (57915018) PubChem (57939063) PubChem (58428240) PubChem (58445498) PubChem (58663286) PubChem (162906452) PubChem (162906453) PubChem (162906454) PubChem (162906455) PubChem (49853509) PubChem (50990013) PubChem (163255768) PubChem (52934537) PubChem (163389210) PubChem (164665303) PubChem (56621683) PubChem (166553771) PubChem (166712004) PubChem (5283629) PubChem (170116175) PubChem (171764280) PubChem (171817101) PubChem (171817104) PubChem (171828367) PubChem (59274407) PubChem (59450329) PubChem (59628412) PubChem (59965215) PubChem (59993755) PubChem (60001463) PubChem (66634651) PubChem (68055877) PubChem (68166463) PubChem (68311398) PubChem (68311425) PubChem (68315613) PubChem (173516975) PubChem (174285573) PubChem (70795838) PubChem (70797612) PubChem (70957185) PubChem (71168115) PubChem (71234641) PubChem (71463909) PubChem (7059400) PubChem (9909206) PubChem (11868625) PubChem (89951918) PubChem (12303148) PubChem (90224410) PubChem (15939944) PubChem (16219173) PubChem (101624109) PubChem (40477506) PubChem (42579432) PubChem (70954610) PubChem (71173031) | |||
| 4 | E, F (A) | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 2 | Chemie (OLC) | |||
| 5 | G (A) | water | water | 18.0 | 12 | Chemie (HOH) |
Sequence modifications
A: 2 - 223 (UniProt: Q9H244)
A: 1001 - 1106 (UniProt: P0ABE7)
A: 224 - 342 (UniProt: Q9H244)
| PDB | External Database | Details |
|---|---|---|
| Asp -8 | - | expression tag |
| Tyr -7 | - | expression tag |
| Lys -6 | - | expression tag |
| Asp -5 | - | expression tag |
| Asp -4 | - | expression tag |
| Asp -3 | - | expression tag |
| Asp -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ala 0 | - | expression tag |
| Pro 1 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Trp 1007 | Met 29 | engineered mutation |
| Ile 1102 | His 124 | engineered mutation |
| Leu 1106 | Arg 128 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Asn 294 | Asp 294 | engineered mutation |
| Gly 343 | - | expression tag |
| Arg 344 | - | expression tag |
| Pro 345 | - | expression tag |
| Leu 346 | - | expression tag |
| Glu 347 | - | expression tag |
| Val 348 | - | expression tag |
| Leu 349 | - | expression tag |
| Phe 350 | - | expression tag |
| Gln 351 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 53248.9 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1956.9 | |
| All* | Total formula weight | 55205.8 |
