MolNFT v1 · #25213 · protein
Tenebrio molitor alpha-amylase-inhibitor complex
1VIW: “Tenebrio molitor alpha-amylase-inhibitor complex”. X-ray diffraction, 3 ligands (NAG, CA, CL), 3 pockets (best druggability 0.40). MolNFT v1 #25213 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1VIW
- Type
- protein
- Length
- 669 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-amylase; Alpha-amylase-inhibitor
- EC
- 3.2.1.1
- UniProt
- P56634, P02873
- Ligands
- NAG, CA, CL
- Pockets
- 3 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-amylase (EC 3.2.1.1) | protein | 471 | 30% helix, 20% strand | P56634 |
| B | Alpha-amylase-inhibitor | protein | 198 | 5% helix, 53% strand | P02873 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains B
- CA · Calcium ion · metal · chains A
- CL · Chloride ion · ion · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 96 | 0.40 | 0.77 | 19 | empty |
| 2 | 115 | 0.38 | 0.75 | 24 | empty |
| 3 | 55 | 0.29 | 0.75 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1496 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 2 glycan, 1 modified (disulfide, N-glycosylation, cyclization).
Compared structures
- 1VIW · Tenebrio molitor alpha-amylase-inhibitor complex · the same entry in another collection · chain A against A, TM-score 1.00
- P56634 · AlphaFold monomer V2.0 prediction for alpha-amylase (P56634) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P02873 · AlphaFold monomer V2.0 prediction for alpha-amylase inhibitor 1 (P02873) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P56634
- Every structure of UniProt P02873
- Elsewhere: RCSB PDB 1VIW · PDBe 1VIW · UniProt P56634 · UniProt P02873
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