6O3C
Crystal structure of active Smoothened bound to SAG21k, cholesterol, and NbSmo8
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Smoothened homolog | polymer | 525 | 58788.3 | 1 | UniProt (P56726) Pfam (PF01392) Pfam (PF01534) | Mus musculus (Mouse) | SMO |
| 2 | B (B) | NbSmo8 | polymer | 128 | 14233.7 | 1 | Lama glama | ||
| 3 | C (A) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 4 | D (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 5 | E, F, G, H, I... (A) | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 6 | Chemie (OLB) | |||
| 6 | K, L (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 7 | M (A) | 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide | non-polymer | 556.1 | 1 | Chemie (LKD) | |||
| 8 | N, O (A) | CHOLESTEROL | non-polymer | 386.7 | 2 | Chemie (CLR) | |||
| 9 | P (A) | water | water | 18.0 | 3 | Chemie (HOH) |
Sequence modifications
A: 64 - 566 (UniProt: P56726)
| PDB | External Database | Details |
|---|---|---|
| Asp 42 | - | expression tag |
| Tyr 43 | - | expression tag |
| Lys 44 | - | expression tag |
| Asp 45 | - | expression tag |
| Asp 46 | - | expression tag |
| Asp 47 | - | expression tag |
| Asp 48 | - | expression tag |
| Ala 49 | - | expression tag |
| Gly 50 | - | expression tag |
| Ser 51 | - | expression tag |
| Glu 52 | - | expression tag |
| Asn 53 | - | expression tag |
| Leu 54 | - | expression tag |
| Tyr 55 | - | expression tag |
| Phe 56 | - | expression tag |
| Gln 57 | - | expression tag |
| Gly 58 | - | expression tag |
| Ser 59 | - | expression tag |
| Gly 60 | - | expression tag |
| Ser 61 | - | expression tag |
| Pro 62 | - | expression tag |
| Arg 63 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 73022.0 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 4029.0 | |
| All* | Total formula weight | 77051.0 |
