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Crystal structure of a glycoside hydrolase family 3 beta-glucosidase, BGL1 from hypocrea jecorina at 2.1A resolution.
Analyse Crystal structure of a glycoside hydrolase family 3 beta-glucosidase, BGL1 from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ZYZ
- Type
- protein
- Length
- 713 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-D-glucoside glucohydrolase
- EC
- 3.2.1.21
- UniProt
- Q12715
- Ligands
- NAG, BGC
- Pockets
- 4 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-D-glucoside glucohydrolase (EC 3.2.1.21) | protein | 713 | 29% helix, 23% strand | Q12715 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- BGC · beta-D-glucopyranose · sugar · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 136 | 0.51 | 0.80 | 26 | BGC |
| 2 | 55 | 0.49 | 0.86 | 19 | empty |
| 3 | 171 | 0.44 | 0.74 | 24 | GOL, PEG |
| 4 | 89 | 0.39 | 0.77 | 20 | empty |
Modifications
Observed in the structure: 3 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 3ZYZ · Crystal structure of a glycoside hydrolase family 3 beta-glucosidase, Bgl1 from Hypocrea… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q12715
- Elsewhere: RCSB PDB 3ZYZ · PDBe 3ZYZ · UniProt Q12715
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