8GCY
Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor
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 | 391 | 45152.6 | 1 | UniProt (Q13191) Pfam (PF02262) Pfam (PF02761) Pfam (PF02762) Pfam (PF00097) | Homo sapiens (human) | Casitas B-lineage lymphoma proto-oncogene b,RING finger protein 56,RING-type E3 ubiquitin transferase CBL-B,SH3-binding protein CBL-B,Signal transduction protein CBL-B |
| 2 | B, C (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D (A) | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one | non-polymer | 537.6 | 1 | Chemie (Z3N) | |||
| 4 | E (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 5 | F (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 6 | G (A) | UNKNOWN ATOM OR ION | non-polymer | 1 | Chemie (UNX) | ||||
| 7 | H (A) | water | water | 18.0 | 142 | Chemie (HOH) |
Sequence modifications
A: 38 - 427 (UniProt: Q13191)
| PDB | External Database | Details |
|---|---|---|
| Gly 37 | - | expression tag |
| Ala 51 | Lys 51 | conflict |
| Ala 55 | Lys 55 | conflict |
| Ala 325 | Arg 325 | conflict |
| Phe 360 | Tyr 360 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45152.6 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 826.6 | |
| All* | Total formula weight | 45979.2 |
