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 |