4N4W
Structure of the human smoothened receptor in complex with SANT-1.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Cytochrome b(562),Smoothened homolog | polymer | 475 | 53121.0 | 1 | UniProt (Q0SXH8) UniProt (Q99835) Pfam (PF07361) Pfam (PF01534) | Shigella flexneri 5 str. 8401 | SMO,Protein Gx |
| 2 | B (B) | alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 748.7 | 1 | In PDB GlyTouCan (G81315DD) | |||
| 3 | C (A) | (E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine | non-polymer | 373.5 | 1 | Chemie (SNT) | |||
| 4 | D, E (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 5 | F, G (A) | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 2 | Chemie (OLC) | |||
| 6 | H (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 7 | I (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 8 | J (A) | water | water | 18.0 | 8 | Chemie (HOH) |
Sequence modifications
A: 1 - 106 (UniProt: Q0SXH8)
A: 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 | Arg 128 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 53121.0 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 748.7 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1517.7 | |
| All* | Total formula weight | 55387.4 |
