MolNFT v1 · #3242 · protein
Yellow meal worm alpha-amylase in complex with the amaranth alpha- amylase inhibitor
1CLV · Protein (alpha-amylase): “Yellow meal worm alpha-amylase in complex with the amaranth alpha- amylase inhibitor”. X-ray diffraction, 2 ligands (CA, CL), 2 pockets (best druggability 0.39). MolNFT v1 #3242 on GenesisL1: 3D structure…
- PDB
- 1CLV
- Type
- protein
- Length
- 503 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (alpha-amylase); Protein (alpha-amylase inhibitor)
- EC
- 3.2.1.1
- UniProt
- P56634, P80403
- Ligands
- CA, CL
- Pockets
- 2 · best druggability 0.39
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (alpha-amylase) (EC 3.2.1.1) | protein | 471 | 28% helix, 25% strand | P56634 |
| I | Protein (alpha-amylase inhibitor) | protein | 32 | 13% helix, 25% strand | P80403 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 114 | 0.39 | 0.75 | 25 | empty |
| 2 | 88 | 0.36 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–I · 1081 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide, 1 modified (disulfide, cyclization).
Compared structures
- 1CLV · Yellow meal worm alpha-amylase in complex with the amaranth alpha-amylase inhibitor · 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 1.00
- P80403 · AlphaFold monomer V2.0 prediction for alpha-amylase inhibitor aai (P80403) · a predicted model of the same protein · chain I against A, TM-score 0.90
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 P80403
- Elsewhere: RCSB PDB 1CLV · PDBe 1CLV · UniProt P56634 · UniProt P80403
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