9LYF
Structure-based Discovery of Novel non-Covalent Small Molecule Inhibitors of USP30
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Ubiquitin carboxyl-terminal hydrolase 30 | polymer | 336 | 38469.4 | 1 | UniProt (Q70CQ3) Pfam (PF00443) | Homo sapiens (human) | Deubiquitinating enzyme 30,Ubiquitin thioesterase 30,Ubiquitin-specific-processing protease 30,Ub-specific protease 30 |
| 2 | B (A) | 5-(3-cyanophenyl)-~{N}-[[(3~{S})-1-(iminomethyl)pyrrolidin-3-yl]methyl]-1,3,4-oxadiazole-2-carboxamide | non-polymer | 324.3 | 1 | Chemie (A1L7W) | |||
| 3 | C (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 4 | D (A) | water | water | 18.0 | 16 | Chemie (HOH) |
Sequence modifications
A: 64 - 178 (UniProt: Q70CQ3)
A: 217 - 428 (UniProt: Q70CQ3)
A: 432 - 502 (UniProt: Q70CQ3)
| PDB | External Database | Details |
|---|---|---|
| Gly 62 | - | expression tag |
| Pro 63 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 213 | - | linker |
| Ser 214 | - | linker |
| Gly 215 | - | linker |
| Ser 216 | - | linker |
| Asp 348 | Phe 348 | engineered mutation |
| Ser 350 | Met 350 | engineered mutation |
| Glu 353 | Ile 353 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ser 429 | - | linker |
| Asn 430 | - | linker |
| Ala 431 | - | linker |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 38469.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 389.7 | |
| All* | Total formula weight | 38859.2 |
