8QNG
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine HTS hit compound 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) | E3 ubiquitin-protein ligase CBL-B | polymer | 394 | 45809.5 | 1 | UniProt (Q13191) Pfam (PF02262) Pfam (PF02761) Pfam (PF02762) Pfam (PF00097) | Homo sapiens (human) | |
| 2 | B (A) | 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide | non-polymer | 454.5 | 1 | Chemie (W89) | |||
| 3 | C, D (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | E (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 5 | F (A) | water | water | 18.0 | 20 | Chemie (HOH) |
Sequence modifications
A: 36 - 427 (UniProt: Q13191)
| PDB | External Database | Details |
|---|---|---|
| His 34 | - | expression tag |
| Met 35 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45809.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 608.3 | |
| All* | Total formula weight | 46417.8 |
