MolNFT v1 · #156219 · protein
Potato D-enzyme complexed with acarbose
6LX1 · 4-alpha-glucanotransferase, CHLOROPLASTIC/AMYLOPLASTIC: “Potato D-enzyme complexed with acarbose”. X-ray diffraction, 4 ligands (ASO, AC1, CA), 4 pockets (best druggability 0.76). MolNFT v1 #156219 on GenesisL1: 3D structure…
- PDB
- 6LX1
- Type
- protein
- Length
- 515 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-alpha-glucanotransferase, CHLOROPLASTIC/AMYLOPLASTIC
- EC
- 2.4.1.25
- UniProt
- Q06801
- Ligands
- ASO, AC1, CA, MG
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 4-alpha-glucanotransferase, CHLOROPLASTIC/AMYLOPLASTIC (EC 2.4.1.25) | protein | 515 | 46% helix, 13% strand | Q06801 |
Ligands and binding sites
- ASO · 1,5-anhydro-D-glucitol · ligand · chains A
- AC1 · 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose · ligand · chains A
- CA · Calcium ion · metal · chains A
- MG · Magnesium ion · metal · chains A
- GOL · Glycerol · additive · 2 copies · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1118 | 0.76 | 0.78 | 109 | ASO, AC1 |
| 2 | 159 | 0.54 | 0.80 | 28 | empty |
| 3 | 90 | 0.51 | 0.83 | 16 | GOL |
| 4 | 79 | 0.35 | 0.75 | 17 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
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 Q06801
- Elsewhere: RCSB PDB 6LX1 · PDBe 6LX1 · UniProt Q06801
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