MolNFT v1 · #163704 · protein
Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance
6SAU · Alpha amylase: “Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH…”. X-ray diffraction, 5 ligands (AC1, GLC, BGC), 5 pockets (best druggability 0.59). MolNFT v1 #163704 on…
- 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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