3RIL
The acid beta-glucosidase active site exhibits plasticity in binding 3,4,5,6-tetrahydroxyazepane-based inhibitors: implications for pharmacological chaperone design for gaucher disease
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Glucosylceramidase | polymer | 497 | 55640.2 | 4 | UniProt (P04062) Pfam (PF02055) Pfam (PF17189) | Homo sapiens (human) | Acid beta-glucosidase, Alglucerase, Beta-glucocerebrosidase, D-glucosyl-N-acylsphingosine glucohydrolase, Imiglucerase |
| 2 | AA, BA, CA, DA, E... (C, A, D, B) | SULFATE ION | non-polymer | 96.1 | 36 | Chemie (SO4) | |||
| 3 | LA, P, UA, Y (C, A, D, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) | |||
| 4 | MA, Q, VA, Z (C, A, D, B) | (3S,4R,5R,6S)-azepane-3,4,5,6-tetrol | non-polymer | 163.2 | 4 | Chemie (3RK) PubChem (44319581) PubChem (45111957) PubChem (45111958) PubChem (9989563) PubChem (10080697) PubChem (10464639) PubChem (10464642) PubChem (10797084) PubChem (11286640) PubChem (14781869) PubChem (126969303) PubChem (131177213) PubChem (133619072) | |||
| 5 | WA, XA, YA, ZA (A, B, C, D) | water | water | 18.0 | 1184 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 497 (UniProt: P04062)
| PDB | External Database | Details |
|---|---|---|
| His 495 | Arg 534 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 222560.7 | |
| Non-Polymers* | Number of molecules | 44 |
| Total formula weight | 4995.8 | |
| All* | Total formula weight | 227556.5 |
