2XPK
Cell-penetrant, nanomolar O-GlcNAcase inhibitors selective against lysosomal hexosaminidases
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | O-GLCNACASE NAGJ | polymer | 594 | 66693.7 | 2 | UniProt (Q0TR53) Pfam (PF02838) Pfam (PF07555) Pfam (PF21774) | CLOSTRIDIUM PERFRINGENS | BETA-HEXOSAMINIDASE, N-ACETYL-BETA-GLUCOSAMINIDASE, BETA-N- ACETYLHEXOSAMINIDASE, HEXOSAMINIDASE B, GH84, CPOGA |
| 2 | C, D (A, B) | N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-3-SULFANYLPROPANAMIDE | non-polymer | 391.5 | 2 | Chemie (Z0M) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 460 | Chemie (HOH) |
Sequence modifications
A, B: 31 - 624 (UniProt: Q0TR53)
| PDB | External Database | Details |
|---|---|---|
| Cys 331 | Val 331 | engineered mutation |
| Asp 388 | Asn 388 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 133387.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 783.0 | |
| All* | Total formula weight | 134170.4 |
