4IB4
Crystal structure of the chimeric protein of 5-HT2B-BRIL in complex with ergotamine
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Chimera protein of human 5-hydroxytryptamine receptor 2B and E. Coli soluble cytochrome b562 | polymer | 430 | 48283.3 | 1 | UniProt (P41595) UniProt (P0ABE7) Pfam (PF00001) | Homo sapiens (Human) | |
| 2 | B (A) | Ergotamine | non-polymer | 581.7 | 1 | Chemie (ERM) | |||
| 3 | C (A) | PALMITIC ACID | non-polymer | 256.4 | 1 | Chemie (PLM) | |||
| 4 | D (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) | |||
| 5 | E (A) | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 1 | Chemie (OLC) PubChem (25021708) PubChem (46840179) PubChem (54294271) PubChem (54294270) PubChem (33022) PubChem (5283468) PubChem (5364833) PubChem (11451146) PubChem (12178130) | |||
| 6 | F, G, H (A) | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 3 | Chemie (OLB) | |||
| 7 | I, J (A) | OLEIC ACID | non-polymer | 282.5 | 2 | Chemie (OLA) PubChem (965) PubChem (445639) PubChem (637517) | |||
| 8 | K, L (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) PubChem (8117) | |||
| 9 | M (A) | water | water | 18.0 | 9 | Chemie (HOH) |
Sequence modifications
A: 36 - 248 (UniProt: P41595)
A: 1001 - 1106 (UniProt: P0ABE7)
A: 314 - 405 (UniProt: P41595)
| PDB | External Database | Details |
|---|---|---|
| Asp 26 | - | expression tag |
| Tyr 27 | - | expression tag |
| Lys 28 | - | expression tag |
| Asp 29 | - | expression tag |
| Asp 30 | - | expression tag |
| Asp 31 | - | expression tag |
| Asp 32 | - | expression tag |
| Gly 33 | - | expression tag |
| Ala 34 | - | expression tag |
| Pro 35 | - | expression tag |
| Trp 144 | Met 144 | engineered mutation |
| 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 |
|---|---|---|
| Gly 406 | - | expression tag |
| Arg 407 | - | expression tag |
| Pro 408 | - | expression tag |
| Leu 409 | - | expression tag |
| Glu 410 | - | expression tag |
| Val 411 | - | expression tag |
| Leu 412 | - | expression tag |
| Phe 413 | - | expression tag |
| Gln 414 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 48283.3 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 3428.1 | |
| All* | Total formula weight | 51711.3 |
