Research workbench
Crystal structure of native alfa-L-rhamnosidase from aspergillus terreus
Analyse Crystal structure of native alfa-L-rhamnosidase from aspergillus terreus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6GSZ
- Type
- protein
- Length
- 863 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-L-rhamnosidase
- EC
- 3.2.1.40
- UniProt
- I0AZ41
- Ligands
- NAG, MAN, BMA, BGC, CA
- Pockets
- 11 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-L-rhamnosidase (EC 3.2.1.40) | protein | 863 | 23% helix, 31% strand | I0AZ41 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A
- MAN · alpha-D-mannopyranose · sugar · 10 copies · chains A
- BMA · beta-D-mannopyranose · sugar · 4 copies · chains A
- BGC · beta-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · 21 copies · chains A
- ACT · Acetate ion · additive · 6 copies · chains A
- PGE · Triethylene glycol · additive · 4 copies · chains A
- 1PE · Pentaethylene glycol · additive · 3 copies · chains A
- PG0 · 2-(2-methoxyethoxy)ethanol · additive · 3 copies · chains A
- PG4 · Tetraethylene glycol · additive · chains A
- EDO · 1,2-ethanediol · additive · chains A
- DTU · (2R,3S)-1,4-dimercaptobutane-2,3-diol · additive · chains A
- MPO · 3[N-morpholino]propane sulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 98 | 0.74 | 0.95 | 28 | CA, PG0 |
| 2 | 205 | 0.70 | 0.87 | 44 | PG4, EDO, ACT |
| 3 | 367 | 0.65 | 0.80 | 39 | CA, MPO |
| 4 | 96 | 0.57 | 0.86 | 20 | empty |
| 5 | 253 | 0.55 | 0.77 | 37 | empty |
Modifications
Observed in the structure: 7 glycan, 1 covalent (N-glycosylation, additive adduct).
Compared structures
- 6GSZ · Crystal structure of native alfa-L-rhamnosidase from Aspergillus terreus · 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 I0AZ41
- Elsewhere: RCSB PDB 6GSZ · PDBe 6GSZ · UniProt I0AZ41
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