6WH4
Crystal structure of HTR2A with inverse agonist
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion | polymer | 448 | 50534.9 | 3 | UniProt (P28223) UniProt (P0ABE7) Pfam (PF00001) Pfam (PF07361) | Homo sapiens (Human) | 5-HT-2A,Serotonin receptor 2A,Cytochrome b-562 |
| 2 | D, I, L (A, B, C) | 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine | non-polymer | 356.5 | 3 | Chemie (89F) | |||
| 3 | E, F, K, Q (A, B, C) | OLEIC ACID | non-polymer | 282.5 | 4 | Chemie (OLA) | |||
| 4 | G, M (A, C) | CHOLESTEROL | non-polymer | 386.7 | 2 | Chemie (CLR) | |||
| 5 | H, J, N, O (A, B, C) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 4 | Chemie (PEG) | |||
| 6 | P (C) | ETHYL DIMETHYL AMMONIO PROPANE SULFONATE | non-polymer | 195.3 | 1 | Chemie (NDS) | |||
| 7 | R (C) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) |
Sequence modifications
A, B, C: 66 - 265 (UniProt: P28223)
A, B, C: 1001 - 1106 (UniProt: P0ABE7)
A, B, C: 311 - 405 (UniProt: P28223)
| PDB | External Database | Details |
|---|---|---|
| Met 40 | - | initiating methionine |
| Lys 41 | - | expression tag |
| Thr 42 | - | expression tag |
| Ile 43 | - | expression tag |
| Ile 44 | - | expression tag |
| Ala 45 | - | expression tag |
| Leu 46 | - | expression tag |
| Ser 47 | - | expression tag |
| Tyr 48 | - | expression tag |
| Ile 49 | - | expression tag |
| Phe 50 | - | expression tag |
| Cys 51 | - | expression tag |
| Leu 52 | - | expression tag |
| Val 53 | - | expression tag |
| Phe 54 | - | expression tag |
| Ala 55 | - | expression tag |
| Asp 56 | - | expression tag |
| Tyr 57 | - | expression tag |
| Lys 58 | - | expression tag |
| Asp 59 | - | expression tag |
| Asp 60 | - | expression tag |
| Asp 61 | - | expression tag |
| Asp 62 | - | expression tag |
| Gly 63 | - | expression tag |
| Ala 64 | - | expression tag |
| Pro 65 | - | expression tag |
| Ala 247 | Leu 247 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Trp 1007 | Met 29 | conflict |
| Ile 1102 | His 124 | conflict |
| Leu 1106 | Arg 128 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Ala 371 | Leu 371 | conflict |
| 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 |
| Gly 415 | - | expression tag |
| Pro 416 | - | expression tag |
| His 417 | - | expression tag |
| His 418 | - | expression tag |
| His 419 | - | expression tag |
| His 420 | - | expression tag |
| His 421 | - | expression tag |
| His 422 | - | expression tag |
| His 423 | - | expression tag |
| His 424 | - | expression tag |
| His 425 | - | expression tag |
| His 426 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 151604.8 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 3830.8 | |
| All* | Total formula weight | 155435.6 |
