Research workbench
Tannin acyl hydrolase from aspergillus niger
Analyse Tannin acyl hydrolase 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
- 7K4O
- Type
- protein
- Length
- 554 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxylic ester hydrolase
- EC
- 3.1.1.-
- UniProt
- A2QIR3
- Ligands
- GDE, FWN, NAG, MAN, BMA, ZN, CA, NA, CL
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carboxylic ester hydrolase (EC 3.1.1.-) | protein | 554 | 33% helix, 23% strand | A2QIR3 |
Ligands and binding sites
- GDE · 3,4,5-trihydroxybenzoic acid · ligand · chains A
- FWN · 2-[2-(2-ethoxyethoxy)ethoxy]ethanol · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 14 copies · chains A
- MAN · alpha-D-mannopyranose · sugar · 8 copies · chains A
- BMA · beta-D-mannopyranose · sugar · 2 copies
- ZN · Zinc ion · metal · 4 copies · chains A
- CA · Calcium ion · metal · chains A
- NA · Sodium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 130 | 0.53 | 0.81 | 30 | GDE, CL |
| 2 | 81 | 0.45 | 0.80 | 16 | empty |
| 3 | 69 | 0.33 | 0.75 | 25 | empty |
Modifications
Observed in the structure: 8 glycan, 5 disulfide (N-glycosylation, disulfide).
Compared structures
- 7K4O · Tannin acyl hydrolase from Aspergillus niger · 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 A2QIR3
- Elsewhere: RCSB PDB 7K4O · PDBe 7K4O · UniProt A2QIR3
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