7OCB
Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | B | Spindlin-1 | polymer | 222 | 25499.8 | 1 | UniProt (Q9Y657) Pfam (PF02513) In PDB | Homo sapiens (Human) | Ovarian cancer-related protein,Spindlin1 |
| 2 | B | 7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-2N-[2-(dimethylamino)ethyl]-6-methoxy-4N-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine | non-polymer | 561.8 | 1 | Chemie (V88) | |||
| 3 | B | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 4 | B | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 2 | Chemie (MPD) | |||
| 5 | B | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | B | GLYCINE | non-polymer | 75.1 | 1 | Chemie (GLY) | |||
| 7 | B | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 8 | water | water | 18.0 | 173 | Chemie (HOH) |
Sequence modifications
B: 49 - 262 (UniProt: Q9Y657)
| PDB | External Database | Details |
|---|---|---|
| Met 48 | - | initiating methionine |
| Ala 263 | - | expression tag |
| Glu 264 | - | expression tag |
| Asn 265 | - | expression tag |
| Leu 266 | - | expression tag |
| Tyr 267 | - | expression tag |
| Phe 268 | - | expression tag |
| Gln 269 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 25499.8 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1049.6 | |
| All* | Total formula weight | 26549.4 |
