Research workbench
Feruloyl esterase from aspergillus niger
Analyse Feruloyl esterase from aspergillus niger in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1UWC
- Type
- protein
- Length
- 522 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Feruloyl esterase a
- EC
- 3.1.1.73
- UniProt
- O42807
- Ligands
- FER, NAG, SO4
- Pockets
- 6 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Feruloyl esterase a (EC 3.1.1.73) | protein | 261 | 34% helix, 25% strand | O42807 |
Ligands and binding sites
- FER · 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid · ligand · 3 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 167 | 0.49 | 0.78 | 22 | SO4 |
| 2 | 65 | 0.44 | 0.82 | 19 | empty |
| 3 | 89 | 0.42 | 0.78 | 20 | FER |
| 4 | 76 | 0.40 | 0.78 | 20 | FER |
| 5 | 100 | 0.33 | 0.72 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 132 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 6 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
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 O42807
- Elsewhere: RCSB PDB 1UWC · PDBe 1UWC · UniProt O42807
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