4EIY
Crystal structure of the chimeric protein of A2aAR-BRIL in complex with ZM241385 at 1.8A resolution
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Adenosine receptor A2a/Soluble cytochrome b562 chimera | polymer | 447 | 49974.3 | 1 | UniProt (P29274) UniProt (P0ABE7) Pfam (PF00001) | Homo sapiens (human) | Cytochrome b-562 |
| 2 | B (A) | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol | non-polymer | 337.3 | 1 | Chemie (ZMA) PubChem (176407) | |||
| 3 | C (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) PubChem (923) | |||
| 4 | D, E, F (A) | CHOLESTEROL | non-polymer | 386.7 | 3 | 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 | G, H, I, J, K... (A) | OLEIC ACID | non-polymer | 282.5 | 16 | Chemie (OLA) PubChem (965) PubChem (445639) PubChem (637517) | |||
| 6 | BA, CA, W, X, Y... (A) | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 6 | Chemie (OLC) PubChem (25021708) PubChem (46840179) PubChem (54294271) PubChem (54294270) PubChem (5283468) PubChem (5364833) PubChem (33022) PubChem (11451146) PubChem (12178130) | |||
| 7 | AA (A) | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 1 | Chemie (OLB) | |||
| 8 | DA, EA (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) PubChem (8117) | |||
| 9 | FA (A) | water | water | 18.0 | 177 | Chemie (HOH) |
Sequence modifications
A: 2 - 208 (UniProt: P29274)
A: 1001 - 1106 (UniProt: P0ABE7)
A: 219 - 316 (UniProt: P29274)
| PDB | External Database | Details |
|---|---|---|
| Met -24 | - | expression tag |
| Lys -23 | - | expression tag |
| Thr -22 | - | expression tag |
| Ile -21 | - | expression tag |
| Ile -20 | - | expression tag |
| Ala -19 | - | expression tag |
| Leu -18 | - | expression tag |
| Ser -17 | - | expression tag |
| Tyr -16 | - | expression tag |
| Ile -15 | - | expression tag |
| Phe -14 | - | expression tag |
| Cys -13 | - | expression tag |
| Leu -12 | - | expression tag |
| Val -11 | - | expression tag |
| Phe -10 | - | expression tag |
| Ala -9 | - | expression tag |
| 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 |
|---|---|---|
| His 317 | - | expression tag |
| His 318 | - | expression tag |
| His 319 | - | expression tag |
| His 320 | - | expression tag |
| His 321 | - | expression tag |
| His 322 | - | expression tag |
| His 323 | - | expression tag |
| His 324 | - | expression tag |
| His 325 | - | expression tag |
| His 326 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 49974.3 | |
| Non-Polymers* | Number of molecules | 30 |
| Total formula weight | 8747.7 | |
| All* | Total formula weight | 58722.0 |
