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Crystal structure analysis of triple (T47M/Y164E/T328N)/MALTOSE of bacillus cereus beta-amylase at pH 6.5
Analyse Crystal structure analysis of triple (T47M/Y164E/T328N)/MALTOSE of bacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1VEP
- Type
- protein
- Length
- 516 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-amylase
- EC
- 3.2.1.2
- UniProt
- P36924
- Ligands
- GLC, BGC, CA
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-amylase (EC 3.2.1.2) | protein | 516 | 38% helix, 19% strand | P36924 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 7 copies · chains A
- BGC · beta-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · 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 | 378 | 0.73 | 0.84 | 43 | BGC, GLC |
| 2 | 76 | 0.36 | 0.76 | 14 | empty |
| 3 | 51 | 0.28 | 0.74 | 13 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1VEP · Crystal Structure Analysis of Triple (T47M/Y164E/T328N)/maltose of Bacillus cereus… · the same entry in another collection · chain A against A, TM-score 1.00
- P36924 · AlphaFold monomer V2.0 prediction for beta-amylase (P36924) · a predicted model of the same protein · 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 P36924
- Elsewhere: RCSB PDB 1VEP · PDBe 1VEP · UniProt P36924
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