3LPF
Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 1-((6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| A | 0004566 | molecular_function | beta-glucuronidase activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0005975 | biological_process | carbohydrate metabolic process |
| A | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| A | 0019391 | biological_process | glucuronoside catabolic process |
| A | 0030246 | molecular_function | carbohydrate binding |
| A | 0032991 | cellular_component | protein-containing complex |
| A | 0042802 | molecular_function | identical protein binding |
| B | 0004553 | molecular_function | hydrolase activity, hydrolyzing O-glycosyl compounds |
| B | 0004566 | molecular_function | beta-glucuronidase activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0005975 | biological_process | carbohydrate metabolic process |
| B | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| B | 0019391 | biological_process | glucuronoside catabolic process |
| B | 0030246 | molecular_function | carbohydrate binding |
| B | 0032991 | cellular_component | protein-containing complex |
| B | 0042802 | molecular_function | identical protein binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE Z77 A 604 |
| Chain | Residue |
| A | HIS162 |
| A | LEU561 |
| A | HOH731 |
| A | HOH841 |
| B | PHE365 |
| A | ASP163 |
| A | LEU361 |
| A | GLY362 |
| A | ILE363 |
| A | GLU413 |
| A | PHE448 |
| A | TYR472 |
| A | SER557 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE Z77 B 604 |
| Chain | Residue |
| A | PHE365 |
| B | PHE161 |
| B | HIS162 |
| B | LEU361 |
| B | GLU413 |
| B | TYR468 |
| B | TYR472 |
| B | GLU504 |
| B | HOH665 |
| B | HOH733 |
Functional Information from PROSITE/UniProt
| site_id | PS00608 |
| Number of Residues | 15 |
| Details | GLYCOSYL_HYDROL_F2_2 Glycosyl hydrolases family 2 acid/base catalyst. DKNHPSVVMWSia.NE |
| Chain | Residue | Details |
| A | ASP399-GLU413 |
| site_id | PS00719 |
| Number of Residues | 26 |
| Details | GLYCOSYL_HYDROL_F2_1 Glycosyl hydrolases family 2 signature 1. NsYRTSHYPyaeeMLdwaDehGIVVI |
| Chain | Residue | Details |
| A | ASN324-ILE349 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton donor => ECO:0000305|PubMed:21051639 |
| Chain | Residue | Details |
| A | GLU413 | |
| B | GLU413 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: Nucleophile => ECO:0000269|PubMed:35881786, ECO:0000305|PubMed:21051639 |
| Chain | Residue | Details |
| A | GLU504 | |
| B | GLU504 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 14 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:21051639, ECO:0007744|PDB:3K4D |
| Chain | Residue | Details |
| A | ASP163 | |
| A | ASN412 | |
| A | ASN466 | |
| A | TYR472 | |
| A | GLU504 | |
| A | TRP549 | |
| A | LYS568 | |
| B | ASP163 | |
| B | ASN412 | |
| B | ASN466 | |
| B | TYR472 | |
| B | GLU504 | |
| B | TRP549 | |
| B | LYS568 |
