MolNFT v2 · #157491 · protein
X-ray crystal structure of the E249Q mutan of alpha-amylase I and maltohexaose complex from Eisenia fetida
6M4M: “X-ray crystal structure of the E249Q mutan of alpha-amylase I and maltohexaose complex from Eisenia fetida”. X-ray diffraction at 1.7, 4 ligands (GLC, CA, SO4), 3 pockets (best druggability 0.61). MolNFT v2 #157491 on GenesisL1: 3D…
- PDB
- 6M4M
- Type
- protein
- Length
- 496 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.7
- Source
- Eisenia fetida
- Molecule
- Alpha-amylase
- EC
- 3.2.1.1
- UniProt
- A0A173N065
- Ligands
- GLC, CA, SO4, CL
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · resolution 1.7 · 1 distinct chain · 27% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-amylase (EC 3.2.1.1) | protein | 496 | 27% helix, 20% strand | A0A173N065 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 10 copies · chains A
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · 6 copies · chains A
- CL · Chloride ion · ion · chains A
- PG4 · Tetraethylene glycol · additive · chains A
- PGE · Triethylene glycol · additive · 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 | 311 | 0.61 | 0.78 | 29 | GLC |
| 2 | 50 | 0.48 | 0.86 | 17 | empty |
| 3 | 94 | 0.39 | 0.77 | 19 | empty |
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 6M4M · X-ray crystal structure of the E249Q mutan of alpha-amylase I and maltohexaose complex… · 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 A0A173N065
- Elsewhere: RCSB PDB 6M4M · PDBe 6M4M · UniProt A0A173N065
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