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Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance
Analyse Structural and functional characterisation of three novel fungal amylases with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6SAU
- Type
- protein
- Length
- 883 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha amylase
- Ligands
- AC1, GLC, BGC, CA, NA
- Pockets
- 5 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha amylase | protein | 441 | 33% helix, 20% strand | — |
| B | Alpha amylase | protein | 442 | 33% helix, 20% strand | — |
Ligands and binding sites
- AC1 · 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose · ligand · 4 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 8 copies · chains A, B
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- NA · Sodium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 302 | 0.59 | 0.78 | 45 | empty |
| 2 | 186 | 0.51 | 0.77 | 21 | AC1, GLC |
| 3 | 182 | 0.50 | 0.77 | 35 | empty |
| 4 | 193 | 0.49 | 0.76 | 25 | AC1, GLC |
| 5 | 50 | 0.37 | 0.81 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 562 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 6SAU · Structural and functional characterisation of three novel fungal amylases with enhanced… · 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
- Elsewhere: RCSB PDB 6SAU · PDBe 6SAU
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