2XPK
Cell-penetrant, nanomolar O-GlcNAcase inhibitors selective against lysosomal hexosaminidases
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE Z0M A 1625 |
| Chain | Residue |
| A | GLY187 |
| A | ASN396 |
| A | ASP401 |
| A | ASN429 |
| A | PHE188 |
| A | LYS218 |
| A | ASP297 |
| A | ASP298 |
| A | CYS331 |
| A | TYR335 |
| A | THR366 |
| A | VAL370 |
| site_id | AC2 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE Z0M B 1625 |
| Chain | Residue |
| A | ASP620 |
| A | LEU623 |
| B | GLY187 |
| B | PHE188 |
| B | LYS218 |
| B | ASP297 |
| B | ASP298 |
| B | CYS331 |
| B | TYR335 |
| B | THR366 |
| B | VAL370 |
| B | TRP394 |
| B | ASN396 |
| B | ASP401 |
| B | ASN429 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 544 |
| Details | Domain: {"description":"GH84","evidences":[{"source":"PROSITE-ProRule","id":"PRU01353","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 580 |
| Details | Region: {"description":"Catalytic domain","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 104 |
| Details | Coiled coil: {"evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"PROSITE-ProRule","id":"PRU01353","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"16541109","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 16 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"16541109","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
