6A94
Crystal structure of 5-HT2AR in complex with zotepine
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 | polymer | 376 | 41931.1 | 2 | UniProt (P28223) UniProt (P0ABE7) Pfam (PF00001) Pfam (PF07361) In PDB | Homo sapiens (Human) | 5-HT-2A,Serotonin receptor 2A,Cytochrome b-562 |
| 2 | A, B | 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine | non-polymer | 331.9 | 2 | Chemie (ZOT) | |||
| 3 | A, B | CHOLESTEROL | non-polymer | 386.7 | 2 | Chemie (CLR) | |||
| 4 | A | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 5 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 6 | B | PALMITIC ACID | non-polymer | 256.4 | 1 | Chemie (PLM) | |||
| 7 | B | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 1 | Chemie (A6L) |
Sequence modifications
A, B: 70 - 265 (UniProt: P28223)
A, B: 1001 - 1040 (UniProt: P0ABE7)
A, B: 1066 - 1106 (UniProt: P0ABE7)
A, B: 313 - 403 (UniProt: P28223)
| PDB | External Database | Details |
|---|---|---|
| Gly 67 | - | expression tag |
| Gly 68 | - | expression tag |
| Thr 69 | - | expression tag |
| Lys 162 | Ser 162 | engineered mutation |
| Trp 164 | Met 164 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Trp 1007 | Met 29 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Gly 1041 | - | linker |
| Ser 1042 | - | linker |
| Gly 1043 | - | linker |
| Ser 1044 | - | linker |
| Gly 1045 | - | linker |
| Ile 1098 | Arg 120 | engineered mutation |
| Ile 1102 | His 124 | engineered mutation |
| Gly 1106 | Arg 128 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 83862.1 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2353.7 | |
| All* | Total formula weight | 86215.8 |
