9FUP
Serial microseconds crystallography at ID29 using fixed-target (small foils): A2a adenosine receptor co-crystallised with Istradefylline
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 | polymer | 423 | 46615.3 | 1 | UniProt (P29274) UniProt (P0ABE7) Pfam (PF00001) | Homo sapiens (human) | Cytochrome b-562 |
| 2 | B (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) PubChem (923) | |||
| 3 | C, D, E (A) | CHOLESTEROL | non-polymer | 386.7 | 3 | Chemie (CLR) PubChem (304) PubChem (191463) PubChem (368063) PubChem (369319) PubChem (638019) PubChem (1549081) PubChem (1553803) PubChem (5283629) PubChem (5284644) PubChem (5315842) PubChem (6419195) PubChem (6994560) PubChem (7055705) PubChem (7055706) PubChem (7059398) PubChem (7059400) PubChem (7059635) PubChem (7103033) PubChem (7182477) PubChem (7182478) PubChem (9909206) PubChem (10045721) PubChem (71168115) PubChem (10134774) PubChem (10293553) PubChem (71173031) PubChem (11003580) PubChem (11025495) PubChem (11058155) 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 (16219173) PubChem (16758052) PubChem (40477506) PubChem (40557614) PubChem (42579431) PubChem (42579432) PubChem (176980071) PubChem (45044259) PubChem (18640088) PubChem (1715243) PubChem (1715244) PubChem (23423981) PubChem (49853509) PubChem (44654663) PubChem (46937002) PubChem (59274407) PubChem (50990013) PubChem (68311425) PubChem (68311398) PubChem (143173313) PubChem (177156123) PubChem (5997) PubChem (1551269) PubChem (90070115) PubChem (52934537) PubChem (117965027) PubChem (6432564) PubChem (6710666) PubChem (124146240) PubChem (56621683) PubChem (7059399) PubChem (124897607) PubChem (124896959) PubChem (10861996) PubChem (132837164) PubChem (11834483) PubChem (11888915) PubChem (11888914) PubChem (57915018) PubChem (57939063) PubChem (138967089) PubChem (58428240) PubChem (58445498) PubChem (139566851) PubChem (58663286) PubChem (15939944) PubChem (59450329) PubChem (59628412) PubChem (171828367) PubChem (173516975) PubChem (59965215) PubChem (71234641) PubChem (59993755) PubChem (60001463) PubChem (66634651) PubChem (68055877) PubChem (68166463) PubChem (68315613) PubChem (70795838) PubChem (70797612) PubChem (70954610) PubChem (70957185) PubChem (71463909) PubChem (89951918) PubChem (90224410) PubChem (91298236) PubChem (101624109) PubChem (124225449) PubChem (124429284) PubChem (124909223) PubChem (124909224) PubChem (124909225) 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) | |||
| 4 | F, G, H, I, J... (A) | OLEIC ACID | non-polymer | 282.5 | 11 | Chemie (OLA) PubChem (965) PubChem (445639) PubChem (637517) | |||
| 5 | Q, R (A) | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 2 | Chemie (OLB) | |||
| 6 | S, T (A) | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 2 | Chemie (OLC) PubChem (5283468) PubChem (5364833) PubChem (11451146) PubChem (12178130) PubChem (25021708) PubChem (46840179) PubChem (54294270) PubChem (33022) PubChem (54294271) | |||
| 7 | U (A) | 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione | non-polymer | 384.4 | 1 | Chemie (JQ9) PubChem (198792) PubChem (5311037) PubChem (69623186) | |||
| 8 | V (A) | water | water | 18.0 | 42 | Chemie (HOH) |
Sequence modifications
A: 2 - 208 (UniProt: P29274)
A: 1001 - 1105 (UniProt: P0ABE7)
A: 219 - 317 (UniProt: P29274)
| 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 |
| Leu 54 | Ala 54 | conflict |
| Ala 88 | Thr 88 | conflict |
| Ala 107 | Arg 107 | conflict |
| Ala 122 | Lys 122 | conflict |
| Ala 154 | Asn 154 | conflict |
| Ala 202 | Leu 202 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Trp 1007 | Met 29 | conflict |
| Ile 1102 | His 124 | conflict |
| Leu 1106 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Ala 235 | Leu 235 | conflict |
| Ala 239 | Val 239 | conflict |
| Ala 277 | Ser 277 | conflict |
| Ala 318 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 46615.3 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 6100.6 | |
| All* | Total formula weight | 52715.9 |
