MolNFT v1 · #171535 · protein
Alpha-amylase in complex with probe fragments
6Z8L · Pancreatic alpha-amylase: “Alpha-amylase in complex with probe fragments”. X-ray diffraction, 3 ligands (GLC, CA, CL), 4 pockets (best druggability 0.58). MolNFT v1 #171535 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6Z8L
- Type
- protein
- Length
- 496 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pancreatic alpha-amylase
- EC
- 3.2.1.1
- UniProt
- P04746
- Ligands
- GLC, CA, CL
- Pockets
- 4 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pancreatic alpha-amylase (EC 3.2.1.1) | protein | 496 | 28% helix, 24% strand | P04746 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 9 copies · chains A
- 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
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 267 | 0.58 | 0.78 | 28 | GLC |
| 2 | 70 | 0.34 | 0.77 | 17 | empty |
| 3 | 69 | 0.33 | 0.75 | 13 | empty |
| 4 | 83 | 0.32 | 0.74 | 22 | empty |
Modifications
Observed in the structure: 5 disulfide, 1 modified (disulfide, cyclization).
Compared structures
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 P04746
- Elsewhere: RCSB PDB 6Z8L · PDBe 6Z8L · UniProt P04746
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