MolNFT v1 · #15158 · protein
Amylosucrase mutant E328Q co-crystallized with maltoheptaose then soaked with maltoheptaose.
1MW0: “Amylosucrase mutant E328Q co-crystallized with maltoheptaose then soaked with maltoheptaose.”. X-ray diffraction, 2 ligands (GLC, BGC), 4 pockets (best druggability 0.76). MolNFT v1 #15158 on GenesisL1: 3D structure, binding sites…
- PDB
- 1MW0
- Type
- protein
- Length
- 628 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amylosucrase
- EC
- 2.4.1.4
- Ligands
- GLC, BGC
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amylosucrase (EC 2.4.1.4) | protein | 628 | 42% helix, 16% strand | — |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 17 copies · chains A
- BGC · beta-D-glucopyranose · sugar
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 467 | 0.76 | 0.85 | 60 | GLC |
| 2 | 184 | 0.57 | 0.80 | 34 | empty |
| 3 | 56 | 0.37 | 0.80 | 13 | empty |
| 4 | 50 | 0.24 | 0.73 | 12 | empty |
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 1MW0 · Amylosucrase mutant E328Q co-crystallized with maltoheptaose then soaked with… · the same entry in another collection · 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
- Elsewhere: RCSB PDB 1MW0 · PDBe 1MW0
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