4JKV
Structure of the human smoothened 7TM receptor in complex with an antitumor agent
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Soluble cytochrome b562, Smoothened homolog | polymer | 475 | 53121.0 | 2 | UniProt (P0ABE7) UniProt (Q99835) Pfam (PF07361) Pfam (PF01534) | Escherichia coli (human) | Cytochrome b-562, SMO, Protein Gx |
| 2 | C, L (A, B) | 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide | non-polymer | 512.5 | 2 | Chemie (1KS) | |||
| 3 | D, E, F, M, N (A, B) | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 5 | Chemie (OLC) | |||
| 4 | G, H, O (A, B) | OLEIC ACID | non-polymer | 282.5 | 3 | Chemie (OLA) | |||
| 5 | I, P (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 6 | J (A) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 7 | K (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 8 | Q, R (A, B) | water | water | 18.0 | 110 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 105 (UniProt: P0ABE7)
A, B: 190 - 555 (UniProt: Q99835)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Thr 0 | - | expression tag |
| Trp 7 | Met 29 | engineered mutation |
| Ile 102 | His 124 | engineered mutation |
| Leu 106 | - | linker |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 106242.0 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 4211.7 | |
| All* | Total formula weight | 110453.7 |
