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Crystal structure of acid-beta-glucosidase at pH 4.5, phosphate crystallization condition
Analyse Crystal structure of acid-beta-glucosidase at pH 4.5, phosphate crystallization… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3GXM
- Type
- protein
- Length
- 1,988 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucosylceramidase
- EC
- 3.2.1.45
- UniProt
- P04062
- Ligands
- NAG, SO4
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Glucosylceramidase (EC 3.2.1.45) | protein | 497 | 27% helix, 27% strand | P04062 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 28 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 834 | 0.86 | 0.89 | 92 | empty |
| 2 | 920 | 0.84 | 0.86 | 96 | empty |
| 3 | 545 | 0.82 | 0.87 | 68 | empty |
| 4 | 275 | 0.67 | 0.83 | 45 | empty |
| 5 | 263 | 0.62 | 0.81 | 30 | empty |
Interfaces
5 interfaces between chains.
- B–C · 1024 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 1003 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 787 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 728 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 235 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 8 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 3GXM · Crystal structure of acid-beta-glucosidase at pH 4.5, phosphate crystallization condition · the same entry in another collection · chain D against D, TM-score 1.00
- P04062 · AlphaFold monomer V2.0 prediction for lysosomal acid glucosylceramidase (P04062) · a predicted model of the same protein · chain D against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P04062
- Elsewhere: RCSB PDB 3GXM · PDBe 3GXM · UniProt P04062
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